[2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol

C10H13N5O2 — CID 57158718

IUPAC[2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1ncc2ncn(C3C(CO)C3CO)c2n1
InChIInChI=1S/C10H13N5O2/c11-10-12-1-7-9(14-10)15(4-13-7)8-5(2-16)6(8)3-17/h1,4-6,8,16-17H,2-3H2,(H2,11,12,14)
InChIKeyJPXVWDFNMQBUOF-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.82
Rot. Bonds3

About [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol

[2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 57158718) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol
PubChem CID57158718
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name[2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1ncc2ncn(C3C(CO)C3CO)c2n1
InChIInChI=1S/C10H13N5O2/c11-10-12-1-7-9(14-10)15(4-13-7)8-5(2-16)6(8)3-17/h1,4-6,8,16-17H,2-3H2,(H2,11,12,14)
InChIKeyJPXVWDFNMQBUOF-UHFFFAOYSA-N
XLogP-0.82
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 19934353
1-[(2S,3S,5R)-5-(2-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]ethanone
CID 11818236
2-(2-aminopurin-9-yl)ethanol;ethane
CID 142975458
(2R,3R,5R)-5-(2-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 156627054
9-ethenylpurin-2-amine
CID 22555835
[3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl (4-fluorophenyl) hydrogen phosphate
CID 19018885
ethane;9-methylpurin-2-amine
CID 143911812
2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol
CID 69458930
9-propylpurin-2-amine
CID 58755499
[(1S,2S,3R)-3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl (2-chlorophenyl) hydrogen phosphate
CID 67750038
9-pentan-3-ylpurin-2-amine
CID 139448079
[(1S,2S,3R)-3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl (3-chlorophenyl) hydrogen phosphate
CID 67750175

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol (CID 57158718) is [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol is Nc1ncc2ncn(C3C(CO)C3CO)c2n1.
What is the InChIKey of [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is JPXVWDFNMQBUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-10-12-1-7-9(14-10)15(4-13-7)8-5(2-16)6(8)3-17/h1,4-6,8,16-17H,2-3H2,(H2,11,12,14).
What are the key properties of [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol?
[2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 235.25 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 57158718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).