N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine

C11H8BrClFN3 — CID 65436407

IUPACN-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H8BrClFN3/c1-6-15-10(13)5-11(16-6)17-7-2-3-8(12)9(14)4-7/h2-5H,1H3,(H,15,16,17)
InChIKeyCYPCBVAIBLFREC-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.08
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine

N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 65436407) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
PubChem CID65436407
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC NameN-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H8BrClFN3/c1-6-15-10(13)5-11(16-6)17-7-2-3-8(12)9(14)4-7/h2-5H,1H3,(H,15,16,17)
InChIKeyCYPCBVAIBLFREC-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80546836
N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 58896800
N-(6-bromonaphthalen-2-yl)-6-chloro-2-methylpyrimidin-4-amine
CID 81259369
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine (CID 65436407) is N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(Nc2ccc(Br)c(F)c2)n1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is CYPCBVAIBLFREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c1-6-15-10(13)5-11(16-6)17-7-2-3-8(12)9(14)4-7/h2-5H,1H3,(H,15,16,17).
What are the key properties of N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine?
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 316.56 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 65436407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).