N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine

C13H11BrCl2FN3 — CID 107614909

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H11BrCl2FN3/c1-6(2)10-12(16)18-5-19-13(10)20-11-8(14)3-7(17)4-9(11)15/h3-6H,1-2H3,(H,18,19,20)
InChIKeyGUNBBHNCVQMOOR-UHFFFAOYSA-N
MW379.06 g/mol
LogP5.55
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine (PubChem CID 107614909) has the molecular formula C13H11BrCl2FN3 and a molecular weight of 379.06 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
PubChem CID107614909
Molecular FormulaC13H11BrCl2FN3
Molecular Weight379.06 g/mol
Exact Mass376.95
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H11BrCl2FN3/c1-6(2)10-12(16)18-5-19-13(10)20-11-8(14)3-7(17)4-9(11)15/h3-6H,1-2H3,(H,18,19,20)
InChIKeyGUNBBHNCVQMOOR-UHFFFAOYSA-N
XLogP5.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.06
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107617760
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107617734
6-chloro-5-propan-2-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 63730185
N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63730041
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 107614914
2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 107610244
N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 82859794
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255
6-chloro-N-(3,4-dimethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735586
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine (CID 107614909) is N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is GUNBBHNCVQMOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2FN3/c1-6(2)10-12(16)18-5-19-13(10)20-11-8(14)3-7(17)4-9(11)15/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 379.06 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107614909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).