5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C11H5BrCl2F3N3 — CID 79076572

IUPAC5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H5BrCl2F3N3/c12-7-4-18-10(14)20-9(7)19-8-2-1-5(13)3-6(8)11(15,16)17/h1-4H,(H,18,19,20)
InChIKeyLXQKMGGLCIBXRZ-UHFFFAOYSA-N
MW386.99 g/mol
LogP5.31
Rot. Bonds2

About 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 79076572) has the molecular formula C11H5BrCl2F3N3 and a molecular weight of 386.99 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID79076572
Molecular FormulaC11H5BrCl2F3N3
Molecular Weight386.99 g/mol
Exact Mass384.90
IUPAC Name5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H5BrCl2F3N3/c12-7-4-18-10(14)20-9(7)19-8-2-1-5(13)3-6(8)11(15,16)17/h1-4H,(H,18,19,20)
InChIKeyLXQKMGGLCIBXRZ-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

5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine
CID 175582785
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80911957
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 79916848
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103517614
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80768561
N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695467
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 79076572) is 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is LXQKMGGLCIBXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2F3N3/c12-7-4-18-10(14)20-9(7)19-8-2-1-5(13)3-6(8)11(15,16)17/h1-4H,(H,18,19,20).
What are the key properties of 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]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 5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 79076572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).