3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol

C12H12N6O — CID 89439792

IUPAC3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol
SMILESNc1nc2ncnc(NCc3cccc(O)c3)c2[nH]1
InChIInChI=1S/C12H12N6O/c13-12-17-9-10(15-6-16-11(9)18-12)14-5-7-2-1-3-8(19)4-7/h1-4,6,19H,5H2,(H4,13,14,15,16,17,18)
InChIKeyYNLHTJOVXOLKBQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.25
Rot. Bonds3

About 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol

3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol (PubChem CID 89439792) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol
PubChem CID89439792
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol
SMILESNc1nc2ncnc(NCc3cccc(O)c3)c2[nH]1
InChIInChI=1S/C12H12N6O/c13-12-17-9-10(15-6-16-11(9)18-12)14-5-7-2-1-3-8(19)4-7/h1-4,6,19H,5H2,(H4,13,14,15,16,17,18)
InChIKeyYNLHTJOVXOLKBQ-UHFFFAOYSA-N
XLogP1.25
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine
CID 59408936
ethyl 6-(benzylamino)-7H-purine-8-carboxylate
CID 89439448
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117087853
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050
N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47061485
8-chloro-N-[(2,3-dichlorophenyl)methyl]-7H-purin-6-amine
CID 71516494
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
CID 166230475
6-N-(pyridin-3-ylmethyl)-8-N-(3,4,5-trimethoxyphenyl)-7H-purine-6,8-diamine
CID 117092412
3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
CID 143597622

Frequently Asked Questions

What is the IUPAC name of 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol (CID 89439792) is 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol is Nc1nc2ncnc(NCc3cccc(O)c3)c2[nH]1.
What is the InChIKey of 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol?
The InChIKey is YNLHTJOVXOLKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-12-17-9-10(15-6-16-11(9)18-12)14-5-7-2-1-3-8(19)4-7/h1-4,6,19H,5H2,(H4,13,14,15,16,17,18).
What are the key properties of 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol?
3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol has a molecular weight of 256.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol is sourced from PubChem (CID 89439792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).