2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine

C26H21N7 — CID 126551460

About 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine

2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine (PubChem CID 126551460) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine
• PubChem CID: 126551460
• Molecular Formula: C26H21N7
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.19
• IUPAC Name: 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine
• SMILES: CC(C)c1nc(-c2ccc(-c3cccnc3)cn2)nc(-c2ccc(-c3ccccn3)cn2)n1
• InChI: InChI=1S/C26H21N7/c1-17(2)24-31-25(22-10-8-19(15-29-22)18-6-5-12-27-14-18)33-26(32-24)23-11-9-20(16-30-23)21-7-3-4-13-28-21/h3-17H,1-2H3
• InChIKey: HKGVJXLLRNTMPE-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine?

The IUPAC name of 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine (CID 126551460) is 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine.

What is the SMILES notation for 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine?

The canonical SMILES for 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine is CC(C)c1nc(-c2ccc(-c3cccnc3)cn2)nc(-c2ccc(-c3ccccn3)cn2)n1.

What is the InChIKey of 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine?

The InChIKey is HKGVJXLLRNTMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-17(2)24-31-25(22-10-8-19(15-29-22)18-6-5-12-27-14-18)33-26(32-24)23-11-9-20(16-30-23)21-7-3-4-13-28-21/h3-17H,1-2H3.

What are the key properties of 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine?

2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 431.50 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-4-(5-pyridin-2-yl-2-pyridinyl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 126551460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).