2-ethenylpteridine

C8H6N4 — CID 22062458

IUPAC2-ethenylpteridine
SMILESC=Cc1ncc2nccnc2n1
InChIInChI=1S/C8H6N4/c1-2-7-11-5-6-8(12-7)10-4-3-9-6/h2-5H,1H2
InChIKeyTWRWWJLXMBKRSU-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.06
Rot. Bonds1

About 2-ethenylpteridine

2-ethenylpteridine (PubChem CID 22062458) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-ethenylpteridine.

Molecular Properties

Compound Name2-ethenylpteridine
PubChem CID22062458
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name2-ethenylpteridine
SMILESC=Cc1ncc2nccnc2n1
InChIInChI=1S/C8H6N4/c1-2-7-11-5-6-8(12-7)10-4-3-9-6/h2-5H,1H2
InChIKeyTWRWWJLXMBKRSU-UHFFFAOYSA-N
XLogP1.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylpteridine?
The IUPAC name of 2-ethenylpteridine (CID 22062458) is 2-ethenylpteridine.
What is the SMILES notation for 2-ethenylpteridine?
The canonical SMILES for 2-ethenylpteridine is C=Cc1ncc2nccnc2n1.
What is the InChIKey of 2-ethenylpteridine?
The InChIKey is TWRWWJLXMBKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-2-7-11-5-6-8(12-7)10-4-3-9-6/h2-5H,1H2.
What are the key properties of 2-ethenylpteridine?
2-ethenylpteridine has a molecular weight of 158.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpteridine is sourced from PubChem (CID 22062458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).