6-(4-chlorophenyl)-3-methylpyrimidin-4-one

C11H9ClN2O — CID 30463000

IUPAC6-(4-chlorophenyl)-3-methylpyrimidin-4-one
SMILESCn1cnc(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C11H9ClN2O/c1-14-7-13-10(6-11(14)15)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyWOJYFDKDPMUXEB-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.10
Rot. Bonds1

About 6-(4-chlorophenyl)-3-methylpyrimidin-4-one

6-(4-chlorophenyl)-3-methylpyrimidin-4-one (PubChem CID 30463000) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methylpyrimidin-4-one
PubChem CID30463000
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name6-(4-chlorophenyl)-3-methylpyrimidin-4-one
SMILESCn1cnc(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C11H9ClN2O/c1-14-7-13-10(6-11(14)15)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyWOJYFDKDPMUXEB-UHFFFAOYSA-N
XLogP2.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methylpyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-methylpyrimidin-4-one (CID 30463000) is 6-(4-chlorophenyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-methylpyrimidin-4-one is Cn1cnc(-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 6-(4-chlorophenyl)-3-methylpyrimidin-4-one?
The InChIKey is WOJYFDKDPMUXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-14-7-13-10(6-11(14)15)8-2-4-9(12)5-3-8/h2-7H,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-methylpyrimidin-4-one?
6-(4-chlorophenyl)-3-methylpyrimidin-4-one has a molecular weight of 220.66 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 30463000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).