4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol

C12H12N6O — CID 86271711

IUPAC4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
SMILESNc1nc(NCc2ccc(O)cc2)c2[nH]cnc2n1
InChIInChI=1S/C12H12N6O/c13-12-17-10(9-11(18-12)16-6-15-9)14-5-7-1-3-8(19)4-2-7/h1-4,6,19H,5H2,(H4,13,14,15,16,17,18)
InChIKeyGCWGVLIGWOBYGP-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.25
Rot. Bonds3

About 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol

4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol (PubChem CID 86271711) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
PubChem CID86271711
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
SMILESNc1nc(NCc2ccc(O)cc2)c2[nH]cnc2n1
InChIInChI=1S/C12H12N6O/c13-12-17-10(9-11(18-12)16-6-15-9)14-5-7-1-3-8(19)4-2-7/h1-4,6,19H,5H2,(H4,13,14,15,16,17,18)
InChIKeyGCWGVLIGWOBYGP-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

4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 104623346
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
6-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purine-2,6-diamine
CID 86271803
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 137016701
6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
CID 139906156
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol (CID 86271711) is 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol is Nc1nc(NCc2ccc(O)cc2)c2[nH]cnc2n1.
What is the InChIKey of 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol?
The InChIKey is GCWGVLIGWOBYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-12-17-10(9-11(18-12)16-6-15-9)14-5-7-1-3-8(19)4-2-7/h1-4,6,19H,5H2,(H4,13,14,15,16,17,18).
What are the key properties of 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol?
4-[[(2-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 4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol is sourced from PubChem (CID 86271711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).