8-ethyl-5H-indeno[1,2-d]pyrimidine

C13H12N2 — CID 174353107

IUPAC8-ethyl-5H-indeno[1,2-d]pyrimidine
SMILESCCc1ccc2c(c1)-c1ncncc1C2
InChIInChI=1S/C13H12N2/c1-2-9-3-4-10-6-11-7-14-8-15-13(11)12(10)5-9/h3-5,7-8H,2,6H2,1H3
InChIKeyWZOYITYRJMWIET-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.61
Rot. Bonds1

About 8-ethyl-5H-indeno[1,2-d]pyrimidine

8-ethyl-5H-indeno[1,2-d]pyrimidine (PubChem CID 174353107) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 8-ethyl-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name8-ethyl-5H-indeno[1,2-d]pyrimidine
PubChem CID174353107
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name8-ethyl-5H-indeno[1,2-d]pyrimidine
SMILESCCc1ccc2c(c1)-c1ncncc1C2
InChIInChI=1S/C13H12N2/c1-2-9-3-4-10-6-11-7-14-8-15-13(11)12(10)5-9/h3-5,7-8H,2,6H2,1H3
InChIKeyWZOYITYRJMWIET-UHFFFAOYSA-N
XLogP2.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-5H-indeno[1,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 8-ethyl-5H-indeno[1,2-d]pyrimidine (CID 174353107) is 8-ethyl-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 8-ethyl-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 8-ethyl-5H-indeno[1,2-d]pyrimidine is CCc1ccc2c(c1)-c1ncncc1C2.
What is the InChIKey of 8-ethyl-5H-indeno[1,2-d]pyrimidine?
The InChIKey is WZOYITYRJMWIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-9-3-4-10-6-11-7-14-8-15-13(11)12(10)5-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 8-ethyl-5H-indeno[1,2-d]pyrimidine?
8-ethyl-5H-indeno[1,2-d]pyrimidine has a molecular weight of 196.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 174353107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).