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

C11H5BrCl2F3N3 — CID 106767723

IUPACN-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(Nc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H5BrCl2F3N3/c12-5-1-2-6(13)7(3-5)18-9-4-8(14)19-10(20-9)11(15,16)17/h1-4H,(H,18,19,20)
InChIKeyDIZDZQGAOPABFT-UHFFFAOYSA-N
MW386.99 g/mol
LogP5.31
Rot. Bonds2

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

N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767723) has the molecular formula C11H5BrCl2F3N3 and a molecular weight of 386.99 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767723
Molecular FormulaC11H5BrCl2F3N3
Molecular Weight386.99 g/mol
Exact Mass384.90
IUPAC NameN-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(Nc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H5BrCl2F3N3/c12-5-1-2-6(13)7(3-5)18-9-4-8(14)19-10(20-9)11(15,16)17/h1-4H,(H,18,19,20)
InChIKeyDIZDZQGAOPABFT-UHFFFAOYSA-N
XLogP5.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.99
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766928
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 107593354
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
4-N-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770931
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 106766987
6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715636
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-chlorobenzonitrile
CID 106772546

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767723) is N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(Nc2cc(Br)ccc2Cl)n1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DIZDZQGAOPABFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2F3N3/c12-5-1-2-6(13)7(3-5)18-9-4-8(14)19-10(20-9)11(15,16)17/h1-4H,(H,18,19,20).
What are the key properties of N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine?
N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 386.99 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).