2-ethylpteridine

C8H8N4 — CID 20678679

IUPAC2-ethylpteridine
SMILESCCc1ncc2nccnc2n1
InChIInChI=1S/C8H8N4/c1-2-7-11-5-6-8(12-7)10-4-3-9-6/h3-5H,2H2,1H3
InChIKeyMERSEJRRBHRIHT-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.98
Rot. Bonds1

About 2-ethylpteridine

2-ethylpteridine (PubChem CID 20678679) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-ethylpteridine.

Molecular Properties

Compound Name2-ethylpteridine
PubChem CID20678679
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-ethylpteridine
SMILESCCc1ncc2nccnc2n1
InChIInChI=1S/C8H8N4/c1-2-7-11-5-6-8(12-7)10-4-3-9-6/h3-5H,2H2,1H3
InChIKeyMERSEJRRBHRIHT-UHFFFAOYSA-N
XLogP0.98
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylpteridine?
The IUPAC name of 2-ethylpteridine (CID 20678679) is 2-ethylpteridine.
What is the SMILES notation for 2-ethylpteridine?
The canonical SMILES for 2-ethylpteridine is CCc1ncc2nccnc2n1.
What is the InChIKey of 2-ethylpteridine?
The InChIKey is MERSEJRRBHRIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-7-11-5-6-8(12-7)10-4-3-9-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethylpteridine?
2-ethylpteridine has a molecular weight of 160.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpteridine is sourced from PubChem (CID 20678679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).