ethane;7-ethyl-6H-cyclohepta[d]pyrimidine

C15H24N2 — CID 145141500

IUPACethane;7-ethyl-6H-cyclohepta[d]pyrimidine
SMILESCC.CC.CCC1=CC=c2ncncc2=CC1
InChIInChI=1S/C11H12N2.2C2H6/c1-2-9-3-5-10-7-12-8-13-11(10)6-4-9;2*1-2/h4-8H,2-3H2,1H3;2*1-2H3
InChIKeyRSWBVWXVFVWSRL-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.83
Rot. Bonds1

About ethane;7-ethyl-6H-cyclohepta[d]pyrimidine

ethane;7-ethyl-6H-cyclohepta[d]pyrimidine (PubChem CID 145141500) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is ethane;7-ethyl-6H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Nameethane;7-ethyl-6H-cyclohepta[d]pyrimidine
PubChem CID145141500
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Nameethane;7-ethyl-6H-cyclohepta[d]pyrimidine
SMILESCC.CC.CCC1=CC=c2ncncc2=CC1
InChIInChI=1S/C11H12N2.2C2H6/c1-2-9-3-5-10-7-12-8-13-11(10)6-4-9;2*1-2/h4-8H,2-3H2,1H3;2*1-2H3
InChIKeyRSWBVWXVFVWSRL-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;7-ethyl-6H-cyclohepta[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 ethane;7-ethyl-6H-cyclohepta[d]pyrimidine?
The IUPAC name of ethane;7-ethyl-6H-cyclohepta[d]pyrimidine (CID 145141500) is ethane;7-ethyl-6H-cyclohepta[d]pyrimidine.
What is the SMILES notation for ethane;7-ethyl-6H-cyclohepta[d]pyrimidine?
The canonical SMILES for ethane;7-ethyl-6H-cyclohepta[d]pyrimidine is CC.CC.CCC1=CC=c2ncncc2=CC1.
What is the InChIKey of ethane;7-ethyl-6H-cyclohepta[d]pyrimidine?
The InChIKey is RSWBVWXVFVWSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.2C2H6/c1-2-9-3-5-10-7-12-8-13-11(10)6-4-9;2*1-2/h4-8H,2-3H2,1H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-6H-cyclohepta[d]pyrimidine?
ethane;7-ethyl-6H-cyclohepta[d]pyrimidine has a molecular weight of 232.37 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-6H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 145141500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).