2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one

C19H17ClN2O2 — CID 134565340

IUPAC2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2C)c(-c2cccc(Cl)c2)nc1=O
InChIInChI=1S/C19H17ClN2O2/c1-13-6-3-4-7-15(13)11-22-12-17(24-2)19(23)21-18(22)14-8-5-9-16(20)10-14/h3-10,12H,11H2,1-2H3
InChIKeyKPSMNTZOWQWNCS-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one

2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one (PubChem CID 134565340) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
PubChem CID134565340
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2C)c(-c2cccc(Cl)c2)nc1=O
InChIInChI=1S/C19H17ClN2O2/c1-13-6-3-4-7-15(13)11-22-12-17(24-2)19(23)21-18(22)14-8-5-9-16(20)10-14/h3-10,12H,11H2,1-2H3
InChIKeyKPSMNTZOWQWNCS-UHFFFAOYSA-N
XLogP3.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one (CID 134565340) is 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one is COc1cn(Cc2ccccc2C)c(-c2cccc(Cl)c2)nc1=O.
What is the InChIKey of 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one?
The InChIKey is KPSMNTZOWQWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13-6-3-4-7-15(13)11-22-12-17(24-2)19(23)21-18(22)14-8-5-9-16(20)10-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one?
2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one has a molecular weight of 340.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 134565340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).