4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one

C12H10ClFN2O — CID 116894823

IUPAC4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(F)c(C)cc2Cl)nc(=O)[nH]1
InChIInChI=1S/C12H10ClFN2O/c1-6-3-9(13)8(5-10(6)14)11-4-7(2)15-12(17)16-11/h3-5H,1-2H3,(H,15,16,17)
InChIKeyYQXISQHHOCDHJD-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.85
Rot. Bonds1

About 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one

4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 116894823) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID116894823
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(F)c(C)cc2Cl)nc(=O)[nH]1
InChIInChI=1S/C12H10ClFN2O/c1-6-3-9(13)8(5-10(6)14)11-4-7(2)15-12(17)16-11/h3-5H,1-2H3,(H,15,16,17)
InChIKeyYQXISQHHOCDHJD-UHFFFAOYSA-N
XLogP2.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one (CID 116894823) is 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(-c2cc(F)c(C)cc2Cl)nc(=O)[nH]1.
What is the InChIKey of 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is YQXISQHHOCDHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-6-3-9(13)8(5-10(6)14)11-4-7(2)15-12(17)16-11/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 252.68 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 116894823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).