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

C12H12ClN3S — CID 14935475

IUPACN-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(C)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3S/c1-8-7-11(16-12(14-8)17-2)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeySKACJVVRKDDLLJ-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.90
Rot. Bonds3

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

N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 14935475) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID14935475
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC NameN-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(C)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3S/c1-8-7-11(16-12(14-8)17-2)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeySKACJVVRKDDLLJ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 14461153
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
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
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928418
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
4-N-(4-chlorophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907997
4-N-(4-chlorophenyl)-2-ethylsulfanylpyrimidine-4,6-diamine
CID 53214497

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine (CID 14935475) is N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(C)cc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is SKACJVVRKDDLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-8-7-11(16-12(14-8)17-2)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine?
N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 265.77 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 14935475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).