2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one

C10H13N5O2 — CID 70210832

IUPAC2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1CC1(CO)CC1
InChIInChI=1S/C10H13N5O2/c11-9-14-7-6(12-5-13-7)8(17)15(9)3-10(4-16)1-2-10/h5,16H,1-4H2,(H2,11,14)(H,12,13)
InChIKeyPAYBCSKPYATLIJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.53
Rot. Bonds3

About 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one

2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one (PubChem CID 70210832) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one.

Molecular Properties

Compound Name2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
PubChem CID70210832
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1CC1(CO)CC1
InChIInChI=1S/C10H13N5O2/c11-9-14-7-6(12-5-13-7)8(17)15(9)3-10(4-16)1-2-10/h5,16H,1-4H2,(H2,11,14)(H,12,13)
InChIKeyPAYBCSKPYATLIJ-UHFFFAOYSA-N
XLogP-0.53
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one 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

2-amino-1-ethyl-7H-purin-6-one
CID 18378033
2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
CID 118455615
2-amino-1-[4-hydroxy-2-(hydroxymethyl)butyl]-7H-purin-6-one
CID 66740137
bis(2-amino-1-hydroxy-7H-purin-6-one);hydrate
CID 67908400
1,2-diamino-7H-purin-6-one
CID 15628862
2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
CID 126666255
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
1-(2-amino-6-oxo-7H-purin-1-yl)propan-2-yloxymethylphosphonic acid
CID 18406123
2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one
CID 67632343
2-amino-1-[(4-nitrophenyl)methyl]-7H-purin-6-one
CID 174760334
2-amino-1-ethoxy-7H-purin-6-one
CID 174590702
2-amino-1-[(2R,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-6-one
CID 22211123

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one?
The IUPAC name of 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one (CID 70210832) is 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one.
What is the SMILES notation for 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one?
The canonical SMILES for 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one is Nc1nc2nc[nH]c2c(=O)n1CC1(CO)CC1.
What is the InChIKey of 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one?
The InChIKey is PAYBCSKPYATLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-9-14-7-6(12-5-13-7)8(17)15(9)3-10(4-16)1-2-10/h5,16H,1-4H2,(H2,11,14)(H,12,13).
What are the key properties of 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one?
2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one has a molecular weight of 235.25 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one is sourced from PubChem (CID 70210832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).