N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine

C12H8BrClF3N3 — CID 112694870

IUPACN-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)nc(Cl)n2)ccc1Br
InChIInChI=1S/C12H8BrClF3N3/c1-6-4-7(2-3-8(6)13)18-10-5-9(12(15,16)17)19-11(14)20-10/h2-5H,1H3,(H,18,19,20)
InChIKeyZGAHSNGZPKXGGJ-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.96
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine

N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 112694870) has the molecular formula C12H8BrClF3N3 and a molecular weight of 366.57 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID112694870
Molecular FormulaC12H8BrClF3N3
Molecular Weight366.57 g/mol
Exact Mass364.95
IUPAC NameN-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)nc(Cl)n2)ccc1Br
InChIInChI=1S/C12H8BrClF3N3/c1-6-4-7(2-3-8(6)13)18-10-5-9(12(15,16)17)19-11(14)20-10/h2-5H,1H3,(H,18,19,20)
InChIKeyZGAHSNGZPKXGGJ-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563598
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694906
N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562802
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
4-N-(3-bromo-4-methylphenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565052
2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649814
2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562821
2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694892
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
4-N-(3-bromo-4-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565780

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine (CID 112694870) is N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(Nc2cc(C(F)(F)F)nc(Cl)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZGAHSNGZPKXGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF3N3/c1-6-4-7(2-3-8(6)13)18-10-5-9(12(15,16)17)19-11(14)20-10/h2-5H,1H3,(H,18,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 366.57 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 112694870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).