2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C21H18N6 — CID 54069196

IUPAC2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Nc2nc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H18N6/c1-3-9-16(10-4-1)19-25-20(23-15-18-13-7-8-14-22-18)27-21(26-19)24-17-11-5-2-6-12-17/h1-14H,15H2,(H2,23,24,25,26,27)
InChIKeyMFENCVQKCSNKFH-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.29
Rot. Bonds6

About 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine

2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 54069196) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID54069196
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Nc2nc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H18N6/c1-3-9-16(10-4-1)19-25-20(23-15-18-13-7-8-14-22-18)27-21(26-19)24-17-11-5-2-6-12-17/h1-14H,15H2,(H2,23,24,25,26,27)
InChIKeyMFENCVQKCSNKFH-UHFFFAOYSA-N
XLogP4.29
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 54069196) is 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is c1ccc(Nc2nc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MFENCVQKCSNKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-3-9-16(10-4-1)19-25-20(23-15-18-13-7-8-14-22-18)27-21(26-19)24-17-11-5-2-6-12-17/h1-14H,15H2,(H2,23,24,25,26,27).
What are the key properties of 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 354.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-diphenyl-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54069196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).