2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine

C30H18N18 — CID 139199786

IUPAC2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine
SMILESc1cnc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)nc1.c1cnc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)nc1
InChIInChI=1S/2C15H9N9/c2*1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12/h2*1-9H
InChIKeyDTKKPRGSIQWVNV-UHFFFAOYSA-N
MW630.60 g/mol
LogP2.49
Rot. Bonds6

About 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine

2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine (PubChem CID 139199786) has the molecular formula C30H18N18 and a molecular weight of 630.60 g/mol. Its IUPAC name is 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine
PubChem CID139199786
Molecular FormulaC30H18N18
Molecular Weight630.60 g/mol
Exact Mass630.20
IUPAC Name2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine
SMILESc1cnc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)nc1.c1cnc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)nc1
InChIInChI=1S/2C15H9N9/c2*1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12/h2*1-9H
InChIKeyDTKKPRGSIQWVNV-UHFFFAOYSA-N
XLogP2.49
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.60
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine (CID 139199786) is 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine is c1cnc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)nc1.c1cnc(-c2nc(-c3ncccn3)nc(-c3ncccn3)n2)nc1.
What is the InChIKey of 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine?
The InChIKey is DTKKPRGSIQWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H9N9/c2*1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12/h2*1-9H.
What are the key properties of 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine?
2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine has a molecular weight of 630.60 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(pyrimidin-2-yl)-1,3,5-triazine is sourced from PubChem (CID 139199786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).