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

C10H5Br2ClFN3 — CID 107614902

IUPAC6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESFc1cc(Cl)c(Nc2cc(Br)ncn2)c(Br)c1
InChIInChI=1S/C10H5Br2ClFN3/c11-6-1-5(14)2-7(13)10(6)17-9-3-8(12)15-4-16-9/h1-4H,(H,15,16,17)
InChIKeyCWPHBBZHMOTUMM-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.54
Rot. Bonds2

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

6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine (PubChem CID 107614902) has the molecular formula C10H5Br2ClFN3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
PubChem CID107614902
Molecular FormulaC10H5Br2ClFN3
Molecular Weight381.43 g/mol
Exact Mass378.85
IUPAC Name6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESFc1cc(Cl)c(Nc2cc(Br)ncn2)c(Br)c1
InChIInChI=1S/C10H5Br2ClFN3/c11-6-1-5(14)2-7(13)10(6)17-9-3-8(12)15-4-16-9/h1-4H,(H,15,16,17)
InChIKeyCWPHBBZHMOTUMM-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 107368865
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
6-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107602238
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 107614909
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107617734
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylpyridin-4-amine
CID 107617932
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107617760
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine
CID 107609082
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine (CID 107614902) is 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine is Fc1cc(Cl)c(Nc2cc(Br)ncn2)c(Br)c1.
What is the InChIKey of 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is CWPHBBZHMOTUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2ClFN3/c11-6-1-5(14)2-7(13)10(6)17-9-3-8(12)15-4-16-9/h1-4H,(H,15,16,17).
What are the key properties of 6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine?
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 381.43 g/mol, XLogP of 4.54, 2 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)pyrimidin-4-amine is sourced from PubChem (CID 107614902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).