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

C11H8BrCl2N3S — CID 103481032

IUPACN-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C11H8BrCl2N3S/c1-18-11-16-8(14)5-9(17-11)15-7-4-2-3-6(13)10(7)12/h2-5H,1H3,(H,15,16,17)
InChIKeyYWQSWTDMDKNMOK-UHFFFAOYSA-N
MW365.08 g/mol
LogP5.01
Rot. Bonds3

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

N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine (PubChem CID 103481032) has the molecular formula C11H8BrCl2N3S and a molecular weight of 365.08 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
PubChem CID103481032
Molecular FormulaC11H8BrCl2N3S
Molecular Weight365.08 g/mol
Exact Mass362.90
IUPAC NameN-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C11H8BrCl2N3S/c1-18-11-16-8(14)5-9(17-11)15-7-4-2-3-6(13)10(7)12/h2-5H,1H3,(H,15,16,17)
InChIKeyYWQSWTDMDKNMOK-UHFFFAOYSA-N
XLogP5.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.08
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283
6-chloro-N-(3-chloro-2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544765
6-chloro-N-(2-iodophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544731
N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine
CID 80544634
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
4-N-(3-chloro-2-fluorophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80755526
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-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80546836
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
1-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-4-methylbenzene-1,2-diamine
CID 86686747
4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine
CID 103481973

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine (CID 103481032) is N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(Nc2cccc(Cl)c2Br)n1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is YWQSWTDMDKNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3S/c1-18-11-16-8(14)5-9(17-11)15-7-4-2-3-6(13)10(7)12/h2-5H,1H3,(H,15,16,17).
What are the key properties of N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine?
N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 365.08 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 103481032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).