2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine

C14H12ClF3N2O — CID 106681427

IUPAC2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C)cc(C)c1-c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C14H12ClF3N2O/c1-7-4-8(2)12(10(5-7)21-3)9-6-11(14(16,17)18)20-13(15)19-9/h4-6H,1-3H3
InChIKeySTFLWCGTUWEZAM-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.44
Rot. Bonds2

About 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 106681427) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine
PubChem CID106681427
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C)cc(C)c1-c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C14H12ClF3N2O/c1-7-4-8(2)12(10(5-7)21-3)9-6-11(14(16,17)18)20-13(15)19-9/h4-6H,1-3H3
InChIKeySTFLWCGTUWEZAM-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
2-chloro-4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidine
CID 58974962
2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
CID 171085729
2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine
CID 171085788
6-(2-methoxy-4,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82478108
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759
5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline
CID 2773798
4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832537
2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 15477740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine (CID 106681427) is 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine is COc1cc(C)cc(C)c1-c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is STFLWCGTUWEZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-7-4-8(2)12(10(5-7)21-3)9-6-11(14(16,17)18)20-13(15)19-9/h4-6H,1-3H3.
What are the key properties of 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 316.71 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106681427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).