N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine

C11H6BrClF3N3 — CID 142777197

IUPACN-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C11H6BrClF3N3/c12-7-5-6(13)1-2-8(7)18-10-17-4-3-9(19-10)11(14,15)16/h1-5H,(H,17,18,19)
InChIKeyHQRGJYFZJRPBQO-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.65
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 142777197) has the molecular formula C11H6BrClF3N3 and a molecular weight of 352.54 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID142777197
Molecular FormulaC11H6BrClF3N3
Molecular Weight352.54 g/mol
Exact Mass350.94
IUPAC NameN-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C11H6BrClF3N3/c12-7-5-6(13)1-2-8(7)18-10-17-4-3-9(19-10)11(14,15)16/h1-5H,(H,17,18,19)
InChIKeyHQRGJYFZJRPBQO-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 154454877
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685
4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747938
2-(2-bromo-4-chloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68621429
N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 138636966
N-(4-bromo-3-methoxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133340861
N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine
CID 116649026
2-bromo-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 115296111
3-methoxy-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile
CID 150120658
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567756
N-(3-bromo-5-methylsulfanylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 139397128

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 142777197) is N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(Nc2ccc(Cl)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HQRGJYFZJRPBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3N3/c12-7-5-6(13)1-2-8(7)18-10-17-4-3-9(19-10)11(14,15)16/h1-5H,(H,17,18,19).
What are the key properties of N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 352.54 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 142777197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).