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

C13H19ClN4O — CID 55124733

IUPAC2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C13H19ClN4O/c1-19-13-16-11(14)15-12(17-13)18-8-4-7-10(18)9-5-2-3-6-9/h9-10H,2-8H2,1H3
InChIKeyMZFIEDUSRSYRLS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.69
Rot. Bonds3

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

2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine (PubChem CID 55124733) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
PubChem CID55124733
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C13H19ClN4O/c1-19-13-16-11(14)15-12(17-13)18-8-4-7-10(18)9-5-2-3-6-9/h9-10H,2-8H2,1H3
InChIKeyMZFIEDUSRSYRLS-UHFFFAOYSA-N
XLogP2.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-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-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine (CID 55124733) is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine?
The InChIKey is MZFIEDUSRSYRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-19-13-16-11(14)15-12(17-13)18-8-4-7-10(18)9-5-2-3-6-9/h9-10H,2-8H2,1H3.
What are the key properties of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine?
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine has a molecular weight of 282.77 g/mol, XLogP of 2.69, 3 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-methoxy-1,3,5-triazine is sourced from PubChem (CID 55124733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).