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

C11H9Cl2N3S — CID 80545283

IUPAC6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3S/c1-17-11-15-9(13)6-10(16-11)14-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,14,15,16)
InChIKeyIJNJPEYEQDZOLC-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.25
Rot. Bonds3

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

6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80545283) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80545283
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3S/c1-17-11-15-9(13)6-10(16-11)14-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,14,15,16)
InChIKeyIJNJPEYEQDZOLC-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-chloro-2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544765
N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 103481032
6-chloro-N-(2-iodophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544731
2,6-dichloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 88722654
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine
CID 80544634
1-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-4-methylbenzene-1,2-diamine
CID 86686747
4-N-(3-chloro-2-fluorophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80755526
6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80544469
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine (CID 80545283) is 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(Nc2ccccc2Cl)n1.
What is the InChIKey of 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is IJNJPEYEQDZOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3S/c1-17-11-15-9(13)6-10(16-11)14-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 286.19 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80545283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).