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

C11H9ClN2OS — CID 135975405

IUPAC2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C11H9ClN2OS/c12-9-4-3-8(16-9)11-13-7(6-1-2-6)5-10(15)14-11/h3-6H,1-2H2,(H,13,14,15)
InChIKeyQARCCGFSHWAACI-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.03
Rot. Bonds2

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

2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 135975405) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one
PubChem CID135975405
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C11H9ClN2OS/c12-9-4-3-8(16-9)11-13-7(6-1-2-6)5-10(15)14-11/h3-6H,1-2H2,(H,13,14,15)
InChIKeyQARCCGFSHWAACI-UHFFFAOYSA-N
XLogP3.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975441
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
4-cyclopropyl-2-[5-(2,2-dimethylpropylidene-methyl-oxo-λ6-sulfanyl)thiophen-2-yl]-1H-pyrimidin-6-one
CID 137161992
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975531
4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975455
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-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136847785
2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 137010481
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one (CID 135975405) is 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(-c2ccc(Cl)s2)[nH]1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is QARCCGFSHWAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-9-4-3-8(16-9)11-13-7(6-1-2-6)5-10(15)14-11/h3-6H,1-2H2,(H,13,14,15).
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one?
2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 252.73 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135975405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).