2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine

C13H14ClN3S — CID 106864097

IUPAC2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1ccc(CSc2nc(C)cc(N)n2)c(Cl)c1
InChIInChI=1S/C13H14ClN3S/c1-8-3-4-10(11(14)5-8)7-18-13-16-9(2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyJTQYGNQELNBVLQ-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.62
Rot. Bonds3

About 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine

2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 106864097) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID106864097
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1ccc(CSc2nc(C)cc(N)n2)c(Cl)c1
InChIInChI=1S/C13H14ClN3S/c1-8-3-4-10(11(14)5-8)7-18-13-16-9(2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyJTQYGNQELNBVLQ-UHFFFAOYSA-N
XLogP3.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromo-2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 115598150
2-[(2-chloro-4-nitrophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 115331110
2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 107091751
[3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 102669136
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 47110970
6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 47424857
2-[(2,6-dichloro-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 106994811
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78909887
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 80654802
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 107349644
2-[(3,4-difluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 54028339

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 106864097) is 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine is Cc1ccc(CSc2nc(C)cc(N)n2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is JTQYGNQELNBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-8-3-4-10(11(14)5-8)7-18-13-16-9(2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 279.80 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 106864097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).