6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine

C12H12ClN3S — CID 80891996

IUPAC6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2cccc(Cl)c2)c1C
InChIInChI=1S/C12H12ClN3S/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-4-9(13)6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeySAFPECCHXTXNJV-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.63
Rot. Bonds3

About 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine

6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80891996) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80891996
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2cccc(Cl)c2)c1C
InChIInChI=1S/C12H12ClN3S/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-4-9(13)6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeySAFPECCHXTXNJV-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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Related Compounds

6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80882227
4-chloro-5-methyl-6-(3-methylphenyl)sulfanylpyrimidine
CID 63732712
N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886105
5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 114073878
N-methyl-6-(3-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80885957
N,5-dimethyl-6-(4-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80883862
3-(3-chlorophenyl)sulfanyl-N-methylaniline
CID 117033156
6-(3-chlorophenyl)sulfanyl-7H-purine
CID 514793
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358
[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001570

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine (CID 80891996) is 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Sc2cccc(Cl)c2)c1C.
What is the InChIKey of 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is SAFPECCHXTXNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-4-9(13)6-10/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
6-(3-chlorophenyl)sulfanyl-N,5-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-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80891996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).