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

C12H8BrClF3N3 — CID 114562802

IUPACN-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1Br
InChIInChI=1S/C12H8BrClF3N3/c1-6-3-2-4-7(10(6)13)18-9-5-8(12(15,16)17)19-11(14)20-9/h2-5H,1H3,(H,18,19,20)
InChIKeyQPVCRJWIONOBKB-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.96
Rot. Bonds2

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

N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562802) has the molecular formula C12H8BrClF3N3 and a molecular weight of 366.57 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562802
Molecular FormulaC12H8BrClF3N3
Molecular Weight366.57 g/mol
Exact Mass364.95
IUPAC NameN-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1Br
InChIInChI=1S/C12H8BrClF3N3/c1-6-3-2-4-7(10(6)13)18-9-5-8(12(15,16)17)19-11(14)20-9/h2-5H,1H3,(H,18,19,20)
InChIKeyQPVCRJWIONOBKB-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

2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649814
N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694870
2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694892
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562821
4-bromo-2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 107800091
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740
N-[1-(3-bromophenyl)ethyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562409
4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563666
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562802) is N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine is Cc1cccc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1Br.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QPVCRJWIONOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF3N3/c1-6-3-2-4-7(10(6)13)18-9-5-8(12(15,16)17)19-11(14)20-9/h2-5H,1H3,(H,18,19,20).
What are the key properties of N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2-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-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).