6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine

C12H9Br2ClFN3 — CID 107614917

IUPAC6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Br)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C12H9Br2ClFN3/c1-2-10-17-9(14)5-11(18-10)19-12-7(13)3-6(16)4-8(12)15/h3-5H,2H2,1H3,(H,17,18,19)
InChIKeyPBTXXJAPYJYWJU-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.10
Rot. Bonds3

About 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine

6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine (PubChem CID 107614917) has the molecular formula C12H9Br2ClFN3 and a molecular weight of 409.48 g/mol. Its IUPAC name is 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
PubChem CID107614917
Molecular FormulaC12H9Br2ClFN3
Molecular Weight409.48 g/mol
Exact Mass406.88
IUPAC Name6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Br)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C12H9Br2ClFN3/c1-2-10-17-9(14)5-11(18-10)19-12-7(13)3-6(16)4-8(12)15/h3-5H,2H2,1H3,(H,17,18,19)
InChIKeyPBTXXJAPYJYWJU-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 107614938
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
CID 107613288
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107617678
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 107612296
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine
CID 107576901

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine (CID 107614917) is 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine is CCc1nc(Br)cc(Nc2c(Cl)cc(F)cc2Br)n1.
What is the InChIKey of 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine?
The InChIKey is PBTXXJAPYJYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClFN3/c1-2-10-17-9(14)5-11(18-10)19-12-7(13)3-6(16)4-8(12)15/h3-5H,2H2,1H3,(H,17,18,19).
What are the key properties of 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine?
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine has a molecular weight of 409.48 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 107614917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).