2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

C10H19N5O2 — CID 5039846

IUPAC2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1nc(NCCO)nc(NC(C)C)n1
InChIInChI=1S/C10H19N5O2/c1-4-17-10-14-8(11-5-6-16)13-9(15-10)12-7(2)3/h7,16H,4-6H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyXQJHCZFVFFXJNX-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.49
Rot. Bonds7

About 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 5039846) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID5039846
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1nc(NCCO)nc(NC(C)C)n1
InChIInChI=1S/C10H19N5O2/c1-4-17-10-14-8(11-5-6-16)13-9(15-10)12-7(2)3/h7,16H,4-6H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyXQJHCZFVFFXJNX-UHFFFAOYSA-N
XLogP0.49
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-ethoxy-6-(propan-2-ylamino)-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-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 5039846) is 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is CCOc1nc(NCCO)nc(NC(C)C)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is XQJHCZFVFFXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-4-17-10-14-8(11-5-6-16)13-9(15-10)12-7(2)3/h7,16H,4-6H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 241.29 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 5039846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).