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

C10H9ClN2OS — CID 135968145

IUPAC2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(Cl)s2)[nH]c(=O)c1C
InChIInChI=1S/C10H9ClN2OS/c1-5-6(2)12-9(13-10(5)14)7-3-4-8(11)15-7/h3-4H,1-2H3,(H,12,13,14)
InChIKeyMBXDYHAQAFRYJS-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.77
Rot. Bonds1

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

2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135968145) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135968145
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(Cl)s2)[nH]c(=O)c1C
InChIInChI=1S/C10H9ClN2OS/c1-5-6(2)12-9(13-10(5)14)7-3-4-8(11)15-7/h3-4H,1-2H3,(H,12,13,14)
InChIKeyMBXDYHAQAFRYJS-UHFFFAOYSA-N
XLogP2.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 135968145) is 2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(Cl)s2)[nH]c(=O)c1C.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is MBXDYHAQAFRYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-5-6(2)12-9(13-10(5)14)7-3-4-8(11)15-7/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(5-chlorothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 240.72 g/mol, XLogP of 2.77, 1 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)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135968145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).