2-pteridin-2-ylpteridine

C12H6N8 — CID 90758261

IUPAC2-pteridin-2-ylpteridine
SMILESc1cnc2nc(-c3ncc4nccnc4n3)ncc2n1
InChIInChI=1S/C12H6N8/c1-3-15-9-7(13-1)5-17-11(19-9)12-18-6-8-10(20-12)16-4-2-14-8/h1-6H
InChIKeyBTSOLWXOTMALFV-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.82
Rot. Bonds1

About 2-pteridin-2-ylpteridine

2-pteridin-2-ylpteridine (PubChem CID 90758261) has the molecular formula C12H6N8 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-pteridin-2-ylpteridine.

Molecular Properties

Compound Name2-pteridin-2-ylpteridine
PubChem CID90758261
Molecular FormulaC12H6N8
Molecular Weight262.24 g/mol
Exact Mass262.07
IUPAC Name2-pteridin-2-ylpteridine
SMILESc1cnc2nc(-c3ncc4nccnc4n3)ncc2n1
InChIInChI=1S/C12H6N8/c1-3-15-9-7(13-1)5-17-11(19-9)12-18-6-8-10(20-12)16-4-2-14-8/h1-6H
InChIKeyBTSOLWXOTMALFV-UHFFFAOYSA-N
XLogP0.82
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-pteridin-2-ylpteridine?
The IUPAC name of 2-pteridin-2-ylpteridine (CID 90758261) is 2-pteridin-2-ylpteridine.
What is the SMILES notation for 2-pteridin-2-ylpteridine?
The canonical SMILES for 2-pteridin-2-ylpteridine is c1cnc2nc(-c3ncc4nccnc4n3)ncc2n1.
What is the InChIKey of 2-pteridin-2-ylpteridine?
The InChIKey is BTSOLWXOTMALFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N8/c1-3-15-9-7(13-1)5-17-11(19-9)12-18-6-8-10(20-12)16-4-2-14-8/h1-6H.
What are the key properties of 2-pteridin-2-ylpteridine?
2-pteridin-2-ylpteridine has a molecular weight of 262.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pteridin-2-ylpteridine is sourced from PubChem (CID 90758261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).