| Phytochemical Name : Adenine |
| PCNDIDA0028 |
| Pubchem CID : 190 |
| Molecular formula: C5H5N5 |
| Canonical SMILES : C1=NC2=NC=NC(=C2N1)N |
Synonymes : adenine|73-24-5|1H-Purin-6-amine|6-Aminopurine|7H-Purin-6-amine|9H-Purin-6-amine|Vitamin B4|Adenin|Adeninimine|Leuco-4|6-Amino-1H-purine|6-Amino-3H-purine|6-Amino-7H-purine|6-Amino-9H-purine|1,6-Dihydro-6-iminopurine|3,6-Dihydro-6-iminopurine|Purine, 6-amino-|USAF CB-18|1H-Purine, 6-amino|Adenine [JAN]|ADE|9H-Purine, 1,6-dihydro-6-imino-|Pedatisectine B|CCRIS 2556|CHEBI:16708|Vitamin B 4|3H-Purin-6(7H)-imine|4, Vitamin B|B 4, Vitamin|1H-Purine-6-amine|AI3-50679|NSC 14666|NSC-14666|adenine-ring|EINECS 200-796-1|MFCD00041790|purine, 6|7H-Purin-6-amine (9CI)|ADENINE-2-D1|UNII-JAC85A2161|Leucon (TN)|Adenine (8CI)|9H-Purine-6-amine|9H-purin-6-ylamine|134434-48-3|71660-29-2|DTXSID6022557|Adenine (JAN/USP)|Adenine [USP:JAN]|JAC85A2161|1H-Purine, 6-amino-|66224-66-6|6H-Purin-6-imine, 3,9-dihydro-, (Z)- (9CI)|1H-Purin-6-amine (9CI)|CHEMBL226345|DTXCID502557|134434-49-4|134454-76-5|NSC14666|6H-Purin-6-imine, 1,7-dihydro-, (Z)- (9CI)|6H-Purin-6-imine, 1,9-dihydro-, (E)- (9CI)|6H-Purin-6-imine, 3,7-dihydro-, (Z)- (9CI)|(Z)-3,9-Dihydro-6H-purin-6-imine|134461-75-9|NCGC00094856-01|ADENINE (MART.)|ADENINE [MART.]|ADENINE (USP-RS)|ADENINE [USP-RS]|ADENINE (EP MONOGRAPH)|ADENINE (USP IMPURITY)|ADENINE [EP MONOGRAPH]|ADENINE [USP IMPURITY]|ADENINE (USP MONOGRAPH)|ADENINE [USP MONOGRAPH]|Adenine, United States Pharmacopeia (USP) Reference Standard|CAS-73-24-5|ADENOSINE IMPURITY A (EP IMPURITY)|ADENOSINE IMPURITY A [EP IMPURITY]|SR-05000001754|6-Aminopurine (Adenine)|1H-purin-6(9H)-imine|1,6-Dihydro-6-Imnopurine|3H-Purin-6-amine (9CI)|adenin-|3h-adenine|6-amino purine|6-amino-Purine|purin-6-amine|1jys|1nli|1wei|2pqj|3kpv|Vitamin-B4|[3H]adenine|Adenine, 1|Adenine,(S)|9h-purin-6-amina|ALBB-005925|7H-purin-6-ylamine|71660-30-5|(S)-Norfluoxetine-d5|9H-Purin-6-yl-amin|Spectrum_001106|2p8n|starbld0001134|9H-Purin-6-yl-amine|ADENINE [VANDF]|SpecPlus_000535|ADENINE [INCI]|Adenine, >=99%|9H-Purin-6-amine #|ADENINE [MI]|Spectrum2_000583|Spectrum3_000616|Spectrum4_001891|Spectrum5_000542|ADENINE [WHO-DD]|6-Aminopurine;Vitamin B4|bmse000060|bmse000861|bmse000995|D08IBS|Epitope ID:140097|Adenine, cell culture grade|SCHEMBL8110|Oprea1_057274|US9138393, Adenine|US9144538, Adenine|BSPBio_002152|KBioGR_002447|KBioGR_002562|KBioSS_001586|KBioSS_002571|MLS001066342|DivK1c_006631|SPECTRUM1500807|SPBio_000426|GTPL4788|9H-Purine,6-dihydro-6-imino-|6,7-dihydro-3H-purin-6-imine|BDBM33218|KBio1_001575|KBio2_001586|KBio2_002562|KBio2_004154|KBio2_005130|KBio2_006722|KBio2_007698|KBio3_001652|KBio3_003040|1,9-Dihydro-6H-purin-6-imine|Adenine 100 microg/mL in Water|cMAP_000085|7H-Purin-6-amine, min. 95%|BCPP000433|BDBM181146|HMS1921I14|HMS2092K20|HMS2269I04|Pharmakon1600-01500807|BCP02865|HY-B0152|VCA70030|Tox21_111348|Tox21_302108|BBL007925|BDBM50582699|CCG-38506|NSC757793|s1981|STK387542|WLN: T56 BM DN FN HNJ IZ|AKOS000118903|AKOS005171607|Tox21_111348_1|AC-2028|AM83908|BCP9000233|CS-1984|DB00173|NSC-757793|SDCCGMLS-0066584.P001|NCGC00094856-02|NCGC00094856-03|NCGC00094856-05|NCGC00255120-01|AD2|ANE|AS-11841|BL008313|NCI60_000998|SMR000471871|SBI-0052324.P002|Adenine, Vetec(TM) reagent grade, >=99%|A0149|FT-0620943|FT-0656198|EN300-21472|Adenine, suitable for cell culture, BioReagent|C00147|D00034|P50008|Q15277|Z-1043|AB00052833-18|AB00052833-19|AB00052833_20|AB00052833_22|AB00052833_23|AB00052833_24|A935233|Q-200595|SR-05000001754-1|SR-05000001754-2|W-106856|Adenine, BioReagent, plant cell culture tested, >=99%|Adenine, European Pharmacopoeia (EP) Reference Standard|F0001-1848|Z104498572|6379C0E0-C1BB-4087-96C5-1DE281B8EA4C|Adenine, Pharmaceutical Secondary Standard; Certified Reference Material |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -0.110 |
| Log Po/w (XLOGP3) : -0.090 |
| Log Po/w (WLOGP) : -0.060 |
| Log Po/w (MLOGP) : -1.230 |
| Log Po/w (SILICOS-IT) : 0.470 |
| Consensus Log Po/w : -0.200 |

