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

C11H8BrClFN3S — CID 80546836

IUPACN-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H8BrClFN3S/c1-18-11-16-9(13)5-10(17-11)15-6-2-3-7(12)8(14)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyAJJUNKMNPYAMPG-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.50
Rot. Bonds3

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

N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80546836) has the molecular formula C11H8BrClFN3S and a molecular weight of 348.63 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
PubChem CID80546836
Molecular FormulaC11H8BrClFN3S
Molecular Weight348.63 g/mol
Exact Mass346.93
IUPAC NameN-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H8BrClFN3S/c1-18-11-16-9(13)5-10(17-11)15-6-2-3-7(12)8(14)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyAJJUNKMNPYAMPG-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80544469
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107617990
N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 103481032
1-[3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]ethanone
CID 71671574
N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 14935475
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283
6-chloro-N-(3-chloro-2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544765
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylbenzamide
CID 88571946

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine (CID 80546836) is N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(Nc2ccc(Br)c(F)c2)n1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is AJJUNKMNPYAMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3S/c1-18-11-16-9(13)5-10(17-11)15-6-2-3-7(12)8(14)4-6/h2-5H,1H3,(H,15,16,17).
What are the key properties of N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 348.63 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80546836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).