2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol

C17H23ClN6O2 — CID 23648036

IUPAC2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C17H23ClN6O2/c1-2-26-14-6-5-12(18)11-13(14)20-16-21-15(19-7-10-25)22-17(23-16)24-8-3-4-9-24/h5-6,11,25H,2-4,7-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyQBTRNSWZTVNAIG-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.67
Rot. Bonds8

About 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648036) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648036
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC Name2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C17H23ClN6O2/c1-2-26-14-6-5-12(18)11-13(14)20-16-21-15(19-7-10-25)22-17(23-16)24-8-3-4-9-24/h5-6,11,25H,2-4,7-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyQBTRNSWZTVNAIG-UHFFFAOYSA-N
XLogP2.67
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol 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-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648036) is 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is QBTRNSWZTVNAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O2/c1-2-26-14-6-5-12(18)11-13(14)20-16-21-15(19-7-10-25)22-17(23-16)24-8-3-4-9-24/h5-6,11,25H,2-4,7-10H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 378.86 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).