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

C18H16N2O2 — CID 2987521

IUPAC5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-12(21)15-16(13-8-4-2-5-9-13)19-18(22)20-17(15)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,19,20,22)
InChIKeyUVSVKQLEVIAXCK-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.04
Rot. Bonds3

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

5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2987521) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2987521
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-12(21)15-16(13-8-4-2-5-9-13)19-18(22)20-17(15)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,19,20,22)
InChIKeyUVSVKQLEVIAXCK-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 2987521) is 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1.
What is the InChIKey of 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is UVSVKQLEVIAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(21)15-16(13-8-4-2-5-9-13)19-18(22)20-17(15)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,19,20,22).
What are the key properties of 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2987521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).