5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one

C12H14N2O2S — CID 83450772

IUPAC5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1sccc1C
InChIInChI=1S/C12H14N2O2S/c1-6-4-5-17-11(6)10-9(8(3)15)7(2)13-12(16)14-10/h4-5,10H,1-3H3,(H2,13,14,16)
InChIKeyFNUMASHWIMBECZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.27
Rot. Bonds2

About 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 83450772) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID83450772
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1sccc1C
InChIInChI=1S/C12H14N2O2S/c1-6-4-5-17-11(6)10-9(8(3)15)7(2)13-12(16)14-10/h4-5,10H,1-3H3,(H2,13,14,16)
InChIKeyFNUMASHWIMBECZ-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one (CID 83450772) is 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)NC1c1sccc1C.
What is the InChIKey of 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is FNUMASHWIMBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-6-4-5-17-11(6)10-9(8(3)15)7(2)13-12(16)14-10/h4-5,10H,1-3H3,(H2,13,14,16).
What are the key properties of 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 83450772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).