2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine

C22H19N5 — CID 58261731

IUPAC2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cn3)nc(-c3ccc(C)cn3)n2)cc1
InChIInChI=1S/C22H19N5/c1-14-4-8-17(9-5-14)20-25-21(18-10-6-15(2)12-23-18)27-22(26-20)19-11-7-16(3)13-24-19/h4-13H,1-3H3
InChIKeyXIYWSUKIUYSYSG-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.59
Rot. Bonds3

About 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine

2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine (PubChem CID 58261731) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine
PubChem CID58261731
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cn3)nc(-c3ccc(C)cn3)n2)cc1
InChIInChI=1S/C22H19N5/c1-14-4-8-17(9-5-14)20-25-21(18-10-6-15(2)12-23-18)27-22(26-20)19-11-7-16(3)13-24-19/h4-13H,1-3H3
InChIKeyXIYWSUKIUYSYSG-UHFFFAOYSA-N
XLogP4.59
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine (CID 58261731) is 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cn3)nc(-c3ccc(C)cn3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is XIYWSUKIUYSYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-14-4-8-17(9-5-14)20-25-21(18-10-6-15(2)12-23-18)27-22(26-20)19-11-7-16(3)13-24-19/h4-13H,1-3H3.
What are the key properties of 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine?
2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 353.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 58261731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).