2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

C15H14N6S — CID 668614

IUPAC2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CSc2ccccn2)nc(Nc2ccccc2)n1
InChIInChI=1S/C15H14N6S/c16-14-19-12(10-22-13-8-4-5-9-17-13)20-15(21-14)18-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,18,19,20,21)
InChIKeyFHZQITVJZUMRSM-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.88
Rot. Bonds5

About 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 668614) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID668614
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CSc2ccccn2)nc(Nc2ccccc2)n1
InChIInChI=1S/C15H14N6S/c16-14-19-12(10-22-13-8-4-5-9-17-13)20-15(21-14)18-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,18,19,20,21)
InChIKeyFHZQITVJZUMRSM-UHFFFAOYSA-N
XLogP2.88
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 668614) is 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(CSc2ccccn2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FHZQITVJZUMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c16-14-19-12(10-22-13-8-4-5-9-17-13)20-15(21-14)18-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,18,19,20,21).
What are the key properties of 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 310.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 668614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).