6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine

C12H12ClN3S — CID 80884617

IUPAC6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C12H12ClN3S/c1-8-15-11(14-2)7-12(16-8)17-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyOOIXCPGFNVNFIU-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.63
Rot. Bonds3

About 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine

6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine (PubChem CID 80884617) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
PubChem CID80884617
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C12H12ClN3S/c1-8-15-11(14-2)7-12(16-8)17-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyOOIXCPGFNVNFIU-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine (CID 80884617) is 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine is CNc1cc(Sc2ccccc2Cl)nc(C)n1.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine?
The InChIKey is OOIXCPGFNVNFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-8-15-11(14-2)7-12(16-8)17-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine?
6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine has a molecular weight of 265.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80884617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).