3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one

C15H16N2O3 — CID 21306638

IUPAC3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-9-13(10(2)18)14(12-7-5-4-6-8-12)17(11(3)19)15(20)16-9/h4-8,14H,1-3H3,(H,16,20)
InChIKeyPSJINMZFSBAMRR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.16
Rot. Bonds2

About 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one

3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one (PubChem CID 21306638) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one
PubChem CID21306638
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-9-13(10(2)18)14(12-7-5-4-6-8-12)17(11(3)19)15(20)16-9/h4-8,14H,1-3H3,(H,16,20)
InChIKeyPSJINMZFSBAMRR-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one (CID 21306638) is 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one is CC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccccc1.
What is the InChIKey of 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one?
The InChIKey is PSJINMZFSBAMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-13(10(2)18)14(12-7-5-4-6-8-12)17(11(3)19)15(20)16-9/h4-8,14H,1-3H3,(H,16,20).
What are the key properties of 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one?
3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 21306638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).