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

C13H11BrCl2FN3 — CID 107614936

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C13H11BrCl2FN3/c1-2-3-11-18-10(16)6-12(19-11)20-13-8(14)4-7(17)5-9(13)15/h4-6H,2-3H2,1H3,(H,18,19,20)
InChIKeyNEMQFKCUKJYZKA-UHFFFAOYSA-N
MW379.06 g/mol
LogP5.38
Rot. Bonds4

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

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine (PubChem CID 107614936) 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-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
PubChem CID107614936
Molecular FormulaC13H11BrCl2FN3
Molecular Weight379.06 g/mol
Exact Mass376.95
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C13H11BrCl2FN3/c1-2-3-11-18-10(16)6-12(19-11)20-13-8(14)4-7(17)5-9(13)15/h4-6H,2-3H2,1H3,(H,18,19,20)
InChIKeyNEMQFKCUKJYZKA-UHFFFAOYSA-N
XLogP5.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.06
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-2-ethylpyrimidin-4-amine
CID 107614917
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346
N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 83073478
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
CID 107613288
6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine
CID 107576901

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine (CID 107614936) is N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(Nc2c(Cl)cc(F)cc2Br)n1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine?
The InChIKey is NEMQFKCUKJYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2FN3/c1-2-3-11-18-10(16)6-12(19-11)20-13-8(14)4-7(17)5-9(13)15/h4-6H,2-3H2,1H3,(H,18,19,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine has a molecular weight of 379.06 g/mol, XLogP of 5.38, 4 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-2-propylpyrimidin-4-amine is sourced from PubChem (CID 107614936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).