N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine

C12H7BrClF4N3 — CID 107593354

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(F)c(Br)cc1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H7BrClF4N3/c1-5-2-7(15)6(13)3-8(5)19-10-4-9(14)20-11(21-10)12(16,17)18/h2-4H,1H3,(H,19,20,21)
InChIKeyBLQYVEICBXJMIO-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.10
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine

N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107593354) has the molecular formula C12H7BrClF4N3 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107593354
Molecular FormulaC12H7BrClF4N3
Molecular Weight384.56 g/mol
Exact Mass382.94
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(F)c(Br)cc1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H7BrClF4N3/c1-5-2-7(15)6(13)3-8(5)19-10-4-9(14)20-11(21-10)12(16,17)18/h2-4H,1H3,(H,19,20,21)
InChIKeyBLQYVEICBXJMIO-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767723
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 107594483
6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766928
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 107593334
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
4-N-(5-chloro-2-methylphenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769943
N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 107593321
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine (CID 107593354) is N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(F)c(Br)cc1Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BLQYVEICBXJMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF4N3/c1-5-2-7(15)6(13)3-8(5)19-10-4-9(14)20-11(21-10)12(16,17)18/h2-4H,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine?
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 384.56 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107593354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).