1-benzyl-4-methylpyrimidin-2-one

C12H12N2O — CID 10420322

IUPAC1-benzyl-4-methylpyrimidin-2-one
SMILESCc1ccn(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C12H12N2O/c1-10-7-8-14(12(15)13-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyGNNNOFNEDRCJOE-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.60
Rot. Bonds2

About 1-benzyl-4-methylpyrimidin-2-one

1-benzyl-4-methylpyrimidin-2-one (PubChem CID 10420322) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-benzyl-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-methylpyrimidin-2-one
PubChem CID10420322
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-benzyl-4-methylpyrimidin-2-one
SMILESCc1ccn(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C12H12N2O/c1-10-7-8-14(12(15)13-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyGNNNOFNEDRCJOE-UHFFFAOYSA-N
XLogP1.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpyrimidin-2-one?
The IUPAC name of 1-benzyl-4-methylpyrimidin-2-one (CID 10420322) is 1-benzyl-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-benzyl-4-methylpyrimidin-2-one?
The canonical SMILES for 1-benzyl-4-methylpyrimidin-2-one is Cc1ccn(Cc2ccccc2)c(=O)n1.
What is the InChIKey of 1-benzyl-4-methylpyrimidin-2-one?
The InChIKey is GNNNOFNEDRCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10-7-8-14(12(15)13-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-benzyl-4-methylpyrimidin-2-one?
1-benzyl-4-methylpyrimidin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpyrimidin-2-one is sourced from PubChem (CID 10420322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).