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

C11H12N2O2S — CID 2837422

IUPAC5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-6-9(7(2)14)10(13-11(15)12-6)8-4-3-5-16-8/h3-5,10H,1-2H3,(H2,12,13,15)
InChIKeyOXBRIRFGDOEMFY-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.97
Rot. Bonds2

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

5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2837422) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2837422
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-6-9(7(2)14)10(13-11(15)12-6)8-4-3-5-16-8/h3-5,10H,1-2H3,(H2,12,13,15)
InChIKeyOXBRIRFGDOEMFY-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropyl 6-methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 616931
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(2-thienyl)-, ethyl ester
CID 332931
5-Acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 2946817
N,N-diethyl-6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2940344
6-Methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2894630
4-Methyl-6-(2-thienyl)-2-thioxo-1,3,6-trihydropyrimidine-5-carboxamide
CID 2894735
N,N-diethyl-6-methyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3548254
N,N,6-trimethyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4029836
Methyl 6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2866296
5-Pyrimidinecarboxamide,1,2,3,4-tetrahydro-N,N,6-trimethyl-2-oxo-4-(2-thienyl)-(9CI)
CID 2925611
(6R)-5-acetyl-3-(cyclopropylmethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
CID 9548399
(6R)-5-acetyl-3-benzyl-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
CID 9548422

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 2837422) is 5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)NC1c1cccs1.
What is the InChIKey of 5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is OXBRIRFGDOEMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6-9(7(2)14)10(13-11(15)12-6)8-4-3-5-16-8/h3-5,10H,1-2H3,(H2,12,13,15).
What are the key properties of 5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.97, 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-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2837422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).