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

C12H11BrClN3S — CID 80544730

IUPACN-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C12H11BrClN3S/c1-7-5-8(3-4-9(7)13)15-11-6-10(14)16-12(17-11)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyAUNSSBZWWIMSSP-UHFFFAOYSA-N
MW344.67 g/mol
LogP4.67
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80544730) has the molecular formula C12H11BrClN3S and a molecular weight of 344.67 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
PubChem CID80544730
Molecular FormulaC12H11BrClN3S
Molecular Weight344.67 g/mol
Exact Mass342.95
IUPAC NameN-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C12H11BrClN3S/c1-7-5-8(3-4-9(7)13)15-11-6-10(14)16-12(17-11)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyAUNSSBZWWIMSSP-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80546836
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80759959
6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80544469
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107617990
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462
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-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694870

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine (CID 80544730) is N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(Nc2ccc(Br)c(C)c2)n1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is AUNSSBZWWIMSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3S/c1-7-5-8(3-4-9(7)13)15-11-6-10(14)16-12(17-11)18-2/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 344.67 g/mol, XLogP of 4.67, 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-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80544730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).