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

C9H7ClN2OS — CID 136769689

IUPAC4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(Cl)s2)nc[nH]c1=O
InChIInChI=1S/C9H7ClN2OS/c1-5-8(11-4-12-9(5)13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13)
InChIKeyWQGXDUQFKGTTFX-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.46
Rot. Bonds1

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

4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136769689) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136769689
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(Cl)s2)nc[nH]c1=O
InChIInChI=1S/C9H7ClN2OS/c1-5-8(11-4-12-9(5)13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13)
InChIKeyWQGXDUQFKGTTFX-UHFFFAOYSA-N
XLogP2.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-chlorothiophen-2-yl)-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one (CID 136769689) is 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2ccc(Cl)s2)nc[nH]c1=O.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is WQGXDUQFKGTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c1-5-8(11-4-12-9(5)13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13).
What are the key properties of 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one?
4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 226.69 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).