6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one

C12H9Cl2FN2O — CID 114857657

IUPAC6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H9Cl2FN2O/c1-7-16-11(14)5-12(18)17(7)6-8-2-3-9(13)4-10(8)15/h2-5H,6H2,1H3
InChIKeySSYQLKORGXISCS-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.05
Rot. Bonds2

About 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one

6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one (PubChem CID 114857657) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one
PubChem CID114857657
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H9Cl2FN2O/c1-7-16-11(14)5-12(18)17(7)6-8-2-3-9(13)4-10(8)15/h2-5H,6H2,1H3
InChIKeySSYQLKORGXISCS-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethylpyrimidin-4-one
CID 114857663
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
3-[(2-bromo-5-methoxyphenyl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581792
4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide
CID 114581834
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride
CID 114857558
6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one
CID 114581635
3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581805
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114859912
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one (CID 114857657) is 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1Cc1ccc(Cl)cc1F.
What is the InChIKey of 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one?
The InChIKey is SSYQLKORGXISCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-7-16-11(14)5-12(18)17(7)6-8-2-3-9(13)4-10(8)15/h2-5H,6H2,1H3.
What are the key properties of 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one?
6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one has a molecular weight of 287.12 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 114857657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).