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

C12H10ClFN2O2 — CID 136980758

IUPAC2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(Cl)ccc1-c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C12H10ClFN2O2/c1-6-10(14)12(17)16-11(15-6)8-4-3-7(13)5-9(8)18-2/h3-5H,1-2H3,(H,15,16,17)
InChIKeyJCJQLLBXTPAKSC-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.55
Rot. Bonds2

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

2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136980758) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136980758
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(Cl)ccc1-c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C12H10ClFN2O2/c1-6-10(14)12(17)16-11(15-6)8-4-3-7(13)5-9(8)18-2/h3-5H,1-2H3,(H,15,16,17)
InChIKeyJCJQLLBXTPAKSC-UHFFFAOYSA-N
XLogP2.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
CID 64723337
2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136696949
2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136987470
5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one
CID 136965461
2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136873196
2-(4-chloro-2-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136877714
2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136938664
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
CID 156561283

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136980758) is 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is COc1cc(Cl)ccc1-c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JCJQLLBXTPAKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-6-10(14)12(17)16-11(15-6)8-4-3-7(13)5-9(8)18-2/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 268.68 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136980758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).