5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C13H14N2O2 — CID 592640

IUPAC5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-8-11(9(2)16)12(15-13(17)14-8)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,14,15,17)
InChIKeyHDBCLYQJIRLJOB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.90
Rot. Bonds2

About 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 592640) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID592640
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-8-11(9(2)16)12(15-13(17)14-8)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,14,15,17)
InChIKeyHDBCLYQJIRLJOB-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 592640) is 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)NC1c1ccccc1.
What is the InChIKey of 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is HDBCLYQJIRLJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-11(9(2)16)12(15-13(17)14-8)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,14,15,17).
What are the key properties of 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 592640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).