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

C26H21N7 — CID 126550801

IUPAC2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccc(-c3ccccn3)cn2)nc(-c2ccc(-c3ccccn3)cn2)n1
InChIInChI=1S/C26H21N7/c1-17(2)24-31-25(22-11-9-18(15-29-22)20-7-3-5-13-27-20)33-26(32-24)23-12-10-19(16-30-23)21-8-4-6-14-28-21/h3-17H,1-2H3
InChIKeyPXVKVLRFBPFMAB-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.24
Rot. Bonds5

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

2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (PubChem CID 126550801) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
PubChem CID126550801
Molecular FormulaC26H21N7
Molecular Weight431.50 g/mol
Exact Mass431.19
IUPAC Name2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccc(-c3ccccn3)cn2)nc(-c2ccc(-c3ccccn3)cn2)n1
InChIInChI=1S/C26H21N7/c1-17(2)24-31-25(22-11-9-18(15-29-22)20-7-3-5-13-27-20)33-26(32-24)23-12-10-19(16-30-23)21-8-4-6-14-28-21/h3-17H,1-2H3
InChIKeyPXVKVLRFBPFMAB-UHFFFAOYSA-N
XLogP5.24
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (CID 126550801) is 2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is CC(C)c1nc(-c2ccc(-c3ccccn3)cn2)nc(-c2ccc(-c3ccccn3)cn2)n1.
What is the InChIKey of 2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is PXVKVLRFBPFMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-17(2)24-31-25(22-11-9-18(15-29-22)20-7-3-5-13-27-20)33-26(32-24)23-12-10-19(16-30-23)21-8-4-6-14-28-21/h3-17H,1-2H3.
What are the key properties of 2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
2-propan-2-yl-4,6-bis(5-pyridin-2-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-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 126550801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).