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

C16H14N2O2S — CID 2946817

IUPAC5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(c2ccccc2)NC(=O)NC1c1cccs1
InChIInChI=1S/C16H14N2O2S/c1-10(19)13-14(11-6-3-2-4-7-11)17-16(20)18-15(13)12-8-5-9-21-12/h2-9,15H,1H3,(H2,17,18,20)
InChIKeyNPBZPZPUFYGMMA-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.10
Rot. Bonds3

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

5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2946817) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2946817
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(c2ccccc2)NC(=O)NC1c1cccs1
InChIInChI=1S/C16H14N2O2S/c1-10(19)13-14(11-6-3-2-4-7-11)17-16(20)18-15(13)12-8-5-9-21-12/h2-9,15H,1H3,(H2,17,18,20)
InChIKeyNPBZPZPUFYGMMA-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 2946817) is 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1cccs1.
What is the InChIKey of 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is NPBZPZPUFYGMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10(19)13-14(11-6-3-2-4-7-11)17-16(20)18-15(13)12-8-5-9-21-12/h2-9,15H,1H3,(H2,17,18,20).
What are the key properties of 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 298.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2946817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).