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

C19H21N5S — CID 2498689

IUPAC2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1CSCc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C19H21N5S/c1-13-7-3-5-9-15(13)11-25-12-17-22-18(20)24-19(23-17)21-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyLBWKDOYGRSDFCJ-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.25
Rot. Bonds6

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

2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 2498689) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID2498689
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1CSCc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C19H21N5S/c1-13-7-3-5-9-15(13)11-25-12-17-22-18(20)24-19(23-17)21-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyLBWKDOYGRSDFCJ-UHFFFAOYSA-N
XLogP4.25
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 2498689) is 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine is Cc1ccccc1CSCc1nc(N)nc(Nc2ccccc2C)n1.
What is the InChIKey of 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LBWKDOYGRSDFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-13-7-3-5-9-15(13)11-25-12-17-22-18(20)24-19(23-17)21-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 351.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2498689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).