4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine

C13H15ClN4S — CID 62867894

IUPAC4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCc1ccc(Sc2nc(Cl)nc(N(C)C)n2)c(C)c1
InChIInChI=1S/C13H15ClN4S/c1-8-5-6-10(9(2)7-8)19-13-16-11(14)15-12(17-13)18(3)4/h5-7H,1-4H3
InChIKeyOBBGXWPOALTHSU-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.36
Rot. Bonds3

About 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62867894) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62867894
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCc1ccc(Sc2nc(Cl)nc(N(C)C)n2)c(C)c1
InChIInChI=1S/C13H15ClN4S/c1-8-5-6-10(9(2)7-8)19-13-16-11(14)15-12(17-13)18(3)4/h5-7H,1-4H3
InChIKeyOBBGXWPOALTHSU-UHFFFAOYSA-N
XLogP3.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62867894) is 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine is Cc1ccc(Sc2nc(Cl)nc(N(C)C)n2)c(C)c1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is OBBGXWPOALTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-8-5-6-10(9(2)7-8)19-13-16-11(14)15-12(17-13)18(3)4/h5-7H,1-4H3.
What are the key properties of 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 294.81 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62867894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).