2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine

C14H21ClN4O — CID 62858235

IUPAC2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C14H21ClN4O/c1-2-20-14-17-12(15)16-13(18-14)19-9-5-8-11(19)10-6-3-4-7-10/h10-11H,2-9H2,1H3
InChIKeyZRWSGLHREPZWME-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine

2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine (PubChem CID 62858235) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine
PubChem CID62858235
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C14H21ClN4O/c1-2-20-14-17-12(15)16-13(18-14)19-9-5-8-11(19)10-6-3-4-7-10/h10-11H,2-9H2,1H3
InChIKeyZRWSGLHREPZWME-UHFFFAOYSA-N
XLogP3.08
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine 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 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine (CID 62858235) is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine is CCOc1nc(Cl)nc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine?
The InChIKey is ZRWSGLHREPZWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-2-20-14-17-12(15)16-13(18-14)19-9-5-8-11(19)10-6-3-4-7-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine?
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine has a molecular weight of 296.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 62858235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).