4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one

C13H14N2OS — CID 135975441

IUPAC4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(C3CC3)cc(=O)[nH]2)s1
InChIInChI=1S/C13H14N2OS/c1-2-9-5-6-11(17-9)13-14-10(8-3-4-8)7-12(16)15-13/h5-8H,2-4H2,1H3,(H,14,15,16)
InChIKeyOIOWGHMKTVVICQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.94
Rot. Bonds3

About 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 135975441) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID135975441
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(C3CC3)cc(=O)[nH]2)s1
InChIInChI=1S/C13H14N2OS/c1-2-9-5-6-11(17-9)13-14-10(8-3-4-8)7-12(16)15-13/h5-8H,2-4H2,1H3,(H,14,15,16)
InChIKeyOIOWGHMKTVVICQ-UHFFFAOYSA-N
XLogP2.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975405
4-cyclopropyl-2-[5-(2,2-dimethylpropylidene-methyl-oxo-λ6-sulfanyl)thiophen-2-yl]-1H-pyrimidin-6-one
CID 137161992
4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
CID 136729982
4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975455
[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine
CID 63354738
4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 135975393
4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774590
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 55215667
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136986877

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one (CID 135975441) is 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one is CCc1ccc(-c2nc(C3CC3)cc(=O)[nH]2)s1.
What is the InChIKey of 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is OIOWGHMKTVVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-9-5-6-11(17-9)13-14-10(8-3-4-8)7-12(16)15-13/h5-8H,2-4H2,1H3,(H,14,15,16).
What are the key properties of 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one has a molecular weight of 246.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).