2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C14H19N5S2 — CID 14574963

IUPAC2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC(C)CSc2ccccc2C)n1
InChIInChI=1S/C14H19N5S2/c1-9-6-4-5-7-11(9)21-8-10(2)16-13-17-12(15)18-14(19-13)20-3/h4-7,10H,8H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyMERYHSWVFJRKIM-UHFFFAOYSA-N
MW321.48 g/mol
LogP3.08
Rot. Bonds6

About 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 14574963) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID14574963
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC Name2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC(C)CSc2ccccc2C)n1
InChIInChI=1S/C14H19N5S2/c1-9-6-4-5-7-11(9)21-8-10(2)16-13-17-12(15)18-14(19-13)20-3/h4-7,10H,8H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyMERYHSWVFJRKIM-UHFFFAOYSA-N
XLogP3.08
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine 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 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 14574963) is 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CSc1nc(N)nc(NC(C)CSc2ccccc2C)n1.
What is the InChIKey of 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MERYHSWVFJRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-9-6-4-5-7-11(9)21-8-10(2)16-13-17-12(15)18-14(19-13)20-3/h4-7,10H,8H2,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 321.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-methylphenyl)sulfanylpropan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14574963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).