4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine

C13H10ClF3N2O — CID 106768889

IUPAC4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(C)cc1-c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H10ClF3N2O/c1-7-3-4-10(20-2)8(5-7)9-6-11(14)19-12(18-9)13(15,16)17/h3-6H,1-2H3
InChIKeySRRUPHAZJWYJKS-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.13
Rot. Bonds2

About 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768889) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768889
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(C)cc1-c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H10ClF3N2O/c1-7-3-4-10(20-2)8(5-7)9-6-11(14)19-12(18-9)13(15,16)17/h3-6H,1-2H3
InChIKeySRRUPHAZJWYJKS-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methoxy-5-methylphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769427
4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524
2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine
CID 86633494
4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768869
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
2-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897642
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
4-chloro-6-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)pyrimidine
CID 106769030
2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715215
2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
CID 116811210
6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769157

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine (CID 106768889) is 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine is COc1ccc(C)cc1-c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is SRRUPHAZJWYJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-7-3-4-10(20-2)8(5-7)9-6-11(14)19-12(18-9)13(15,16)17/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 302.68 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).