6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one

C11H13ClN4O2 — CID 146460566

IUPAC6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one
SMILESCOCC1CC(n2c(=O)[nH]c3c(Cl)ncnc32)C1
InChIInChI=1S/C11H13ClN4O2/c1-18-4-6-2-7(3-6)16-10-8(15-11(16)17)9(12)13-5-14-10/h5-7H,2-4H2,1H3,(H,15,17)
InChIKeyFPCNVCWLDDPWGK-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.37
Rot. Bonds3

About 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one

6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one (PubChem CID 146460566) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one.

Molecular Properties

Compound Name6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one
PubChem CID146460566
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one
SMILESCOCC1CC(n2c(=O)[nH]c3c(Cl)ncnc32)C1
InChIInChI=1S/C11H13ClN4O2/c1-18-4-6-2-7(3-6)16-10-8(15-11(16)17)9(12)13-5-14-10/h5-7H,2-4H2,1H3,(H,15,17)
InChIKeyFPCNVCWLDDPWGK-UHFFFAOYSA-N
XLogP1.37
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one?
The IUPAC name of 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one (CID 146460566) is 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one.
What is the SMILES notation for 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one?
The canonical SMILES for 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one is COCC1CC(n2c(=O)[nH]c3c(Cl)ncnc32)C1.
What is the InChIKey of 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one?
The InChIKey is FPCNVCWLDDPWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-18-4-6-2-7(3-6)16-10-8(15-11(16)17)9(12)13-5-14-10/h5-7H,2-4H2,1H3,(H,15,17).
What are the key properties of 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one?
6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one has a molecular weight of 268.70 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one is sourced from PubChem (CID 146460566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).