4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one

C12H12N2O2 — CID 135472891

IUPAC4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C12H12N2O2/c1-16-8-10-7-11(15)14-12(13-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyQNBCSPSCVHYQAR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.58
Rot. Bonds3

About 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one

4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135472891) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID135472891
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C12H12N2O2/c1-16-8-10-7-11(15)14-12(13-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyQNBCSPSCVHYQAR-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one (CID 135472891) is 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(-c2ccccc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is QNBCSPSCVHYQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-8-10-7-11(15)14-12(13-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14,15).
What are the key properties of 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135472891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).