2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine

C19H21N5S — CID 10712923

IUPAC2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCSc1ccc(Nc2nc(C)nc(Nc3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C19H21N5S/c1-12-5-10-17(13(2)11-12)23-19-21-14(3)20-18(24-19)22-15-6-8-16(25-4)9-7-15/h5-11H,1-4H3,(H2,20,21,22,23,24)
InChIKeyRJIGAGAUAKMAGN-UHFFFAOYSA-N
MW351.48 g/mol
LogP5.01
Rot. Bonds5

About 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine

2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10712923) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10712923
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCSc1ccc(Nc2nc(C)nc(Nc3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C19H21N5S/c1-12-5-10-17(13(2)11-12)23-19-21-14(3)20-18(24-19)22-15-6-8-16(25-4)9-7-15/h5-11H,1-4H3,(H2,20,21,22,23,24)
InChIKeyRJIGAGAUAKMAGN-UHFFFAOYSA-N
XLogP5.01
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine (CID 10712923) is 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine is CSc1ccc(Nc2nc(C)nc(Nc3ccc(C)cc3C)n2)cc1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RJIGAGAUAKMAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-12-5-10-17(13(2)11-12)23-19-21-14(3)20-18(24-19)22-15-6-8-16(25-4)9-7-15/h5-11H,1-4H3,(H2,20,21,22,23,24).
What are the key properties of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 351.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10712923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).