4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine

C13H10BrF3N2 — CID 102752878

IUPAC4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1nc(Br)cc(-c2ccc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C13H10BrF3N2/c1-7-5-9(13(15,16)17)3-4-10(7)11-6-12(14)19-8(2)18-11/h3-6H,1-2H3
InChIKeyYVGMJQJSKRVXMV-UHFFFAOYSA-N
MW331.14 g/mol
LogP4.54
Rot. Bonds1

About 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine

4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 102752878) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID102752878
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1nc(Br)cc(-c2ccc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C13H10BrF3N2/c1-7-5-9(13(15,16)17)3-4-10(7)11-6-12(14)19-8(2)18-11/h3-6H,1-2H3
InChIKeyYVGMJQJSKRVXMV-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70317978
2-bromo-5-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 102752825
2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 102754278
6-[2-methyl-4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 102755510
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
N-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 102754120
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine
CID 102754134
2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline
CID 137425290
5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 102755489
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine (CID 102752878) is 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine is Cc1nc(Br)cc(-c2ccc(C(F)(F)F)cc2C)n1.
What is the InChIKey of 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is YVGMJQJSKRVXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c1-7-5-9(13(15,16)17)3-4-10(7)11-6-12(14)19-8(2)18-11/h3-6H,1-2H3.
What are the key properties of 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine?
4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 331.14 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 102752878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).