N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine

C11H8BrClFN3 — CID 104724896

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1cc(Br)c(Nc2cc(F)ncn2)cc1Cl
InChIInChI=1S/C11H8BrClFN3/c1-6-2-7(12)9(3-8(6)13)17-11-4-10(14)15-5-16-11/h2-5H,1H3,(H,15,16,17)
InChIKeyKTUQPFOQTLXJIL-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.08
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine

N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine (PubChem CID 104724896) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
PubChem CID104724896
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1cc(Br)c(Nc2cc(F)ncn2)cc1Cl
InChIInChI=1S/C11H8BrClFN3/c1-6-2-7(12)9(3-8(6)13)17-11-4-10(14)15-5-16-11/h2-5H,1H3,(H,15,16,17)
InChIKeyKTUQPFOQTLXJIL-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-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416284
N-(2,4-dibromophenyl)-6-fluoropyrimidin-4-amine
CID 115416669
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 103586880
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333
N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
CID 115416269
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 104724894
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
4-bromo-2-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736258
6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 115416925

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine (CID 104724896) is N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine is Cc1cc(Br)c(Nc2cc(F)ncn2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is KTUQPFOQTLXJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c1-6-2-7(12)9(3-8(6)13)17-11-4-10(14)15-5-16-11/h2-5H,1H3,(H,15,16,17).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine?
N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-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-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 104724896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).