6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one

C11H12N2O — CID 11715311

IUPAC6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one
SMILESCC1=CCN(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2O/c1-9-7-8-13(11(14)12-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,14)
InChIKeyYZZLIWHPBLIBDZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.12
Rot. Bonds1

About 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one

6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one (PubChem CID 11715311) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one
PubChem CID11715311
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one
SMILESCC1=CCN(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2O/c1-9-7-8-13(11(14)12-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,14)
InChIKeyYZZLIWHPBLIBDZ-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one (CID 11715311) is 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one is CC1=CCN(c2ccccc2)C(=O)N1.
What is the InChIKey of 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one?
The InChIKey is YZZLIWHPBLIBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-7-8-13(11(14)12-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,14).
What are the key properties of 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one?
6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 11715311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).