3-(cyclobutylmethyl)-5-methylpyrimidin-4-one

C10H14N2O — CID 126857617

IUPAC3-(cyclobutylmethyl)-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCC2)c1=O
InChIInChI=1S/C10H14N2O/c1-8-5-11-7-12(10(8)13)6-9-3-2-4-9/h5,7,9H,2-4,6H2,1H3
InChIKeyBPMQDGHADYFTEP-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.35
Rot. Bonds2

About 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one

3-(cyclobutylmethyl)-5-methylpyrimidin-4-one (PubChem CID 126857617) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-methylpyrimidin-4-one
PubChem CID126857617
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(cyclobutylmethyl)-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCC2)c1=O
InChIInChI=1S/C10H14N2O/c1-8-5-11-7-12(10(8)13)6-9-3-2-4-9/h5,7,9H,2-4,6H2,1H3
InChIKeyBPMQDGHADYFTEP-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(cyclobutylmethyl)-5-methylpyrimidin-4-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 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one (CID 126857617) is 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one is Cc1cncn(CC2CCC2)c1=O.
What is the InChIKey of 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one?
The InChIKey is BPMQDGHADYFTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-5-11-7-12(10(8)13)6-9-3-2-4-9/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one?
3-(cyclobutylmethyl)-5-methylpyrimidin-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-methylpyrimidin-4-one is sourced from PubChem (CID 126857617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).