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

C17H24N6O2 — CID 23648025

IUPAC2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C17H24N6O2/c1-2-25-14-8-4-3-7-13(14)19-16-20-15(18-9-12-24)21-17(22-16)23-10-5-6-11-23/h3-4,7-8,24H,2,5-6,9-12H2,1H3,(H2,18,19,20,21,22)
InChIKeyBKIZPCXJZRNQDH-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.02
Rot. Bonds8

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

2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648025) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648025
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C17H24N6O2/c1-2-25-14-8-4-3-7-13(14)19-16-20-15(18-9-12-24)21-17(22-16)23-10-5-6-11-23/h3-4,7-8,24H,2,5-6,9-12H2,1H3,(H2,18,19,20,21,22)
InChIKeyBKIZPCXJZRNQDH-UHFFFAOYSA-N
XLogP2.02
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(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-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648025) is 2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is CCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is BKIZPCXJZRNQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-25-14-8-4-3-7-13(14)19-16-20-15(18-9-12-24)21-17(22-16)23-10-5-6-11-23/h3-4,7-8,24H,2,5-6,9-12H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 344.42 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).