(7H-purin-6-ylamino)methanol

C6H7N5O — CID 86209273

IUPAC(7H-purin-6-ylamino)methanol
SMILESOCNc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5O/c12-3-11-6-4-5(8-1-7-4)9-2-10-6/h1-2,12H,3H2,(H2,7,8,9,10,11)
InChIKeyKFYZVFUMYFTSNB-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.29
Rot. Bonds2

About (7H-purin-6-ylamino)methanol

(7H-purin-6-ylamino)methanol (PubChem CID 86209273) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is (7H-purin-6-ylamino)methanol.

Molecular Properties

Compound Name(7H-purin-6-ylamino)methanol
PubChem CID86209273
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name(7H-purin-6-ylamino)methanol
SMILESOCNc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5O/c12-3-11-6-4-5(8-1-7-4)9-2-10-6/h1-2,12H,3H2,(H2,7,8,9,10,11)
InChIKeyKFYZVFUMYFTSNB-UHFFFAOYSA-N
XLogP-0.29
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
CID 15419
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
CID 113294054
N-butyl-7H-purin-6-amine;ethane
CID 154667457
(E)-2-propan-2-yl-4-(7H-purin-6-ylamino)but-2-en-1-ol
CID 10634231
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079

Frequently Asked Questions

What is the IUPAC name of (7H-purin-6-ylamino)methanol?
The IUPAC name of (7H-purin-6-ylamino)methanol (CID 86209273) is (7H-purin-6-ylamino)methanol.
What is the SMILES notation for (7H-purin-6-ylamino)methanol?
The canonical SMILES for (7H-purin-6-ylamino)methanol is OCNc1ncnc2nc[nH]c12.
What is the InChIKey of (7H-purin-6-ylamino)methanol?
The InChIKey is KFYZVFUMYFTSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c12-3-11-6-4-5(8-1-7-4)9-2-10-6/h1-2,12H,3H2,(H2,7,8,9,10,11).
What are the key properties of (7H-purin-6-ylamino)methanol?
(7H-purin-6-ylamino)methanol has a molecular weight of 165.16 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7H-purin-6-ylamino)methanol is sourced from PubChem (CID 86209273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).