3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one

C12H7Cl2F3N2O — CID 155623822

IUPAC3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one
SMILESCc1ncc(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C12H7Cl2F3N2O/c1-6-18-5-7(12(15,16)17)11(20)19(6)9-4-2-3-8(13)10(9)14/h2-5H,1H3
InChIKeyKJNMDZBHTDCFHX-UHFFFAOYSA-N
MW323.10 g/mol
LogP3.87
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one

3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one (PubChem CID 155623822) has the molecular formula C12H7Cl2F3N2O and a molecular weight of 323.10 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one
PubChem CID155623822
Molecular FormulaC12H7Cl2F3N2O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one
SMILESCc1ncc(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C12H7Cl2F3N2O/c1-6-18-5-7(12(15,16)17)11(20)19(6)9-4-2-3-8(13)10(9)14/h2-5H,1H3
InChIKeyKJNMDZBHTDCFHX-UHFFFAOYSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.10
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one
CID 155165242
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;methanamine
CID 155709858
3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 158112369
5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one
CID 107309342
11-(2,3-dichlorophenyl)-12-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 43864427
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165316
6-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155204021
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
CID 14745915
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
6-(2-amino-6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165297
1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 6735011
3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one
CID 155165313

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one (CID 155623822) is 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one is Cc1ncc(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is KJNMDZBHTDCFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O/c1-6-18-5-7(12(15,16)17)11(20)19(6)9-4-2-3-8(13)10(9)14/h2-5H,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one?
3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 323.10 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 155623822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).