2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide

C9H14ClN5O2 — CID 55124461

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C9H14ClN5O2/c1-3-11-6(16)5-12-8-13-7(10)14-9(15-8)17-4-2/h3-5H2,1-2H3,(H,11,16)(H,12,13,14,15)
InChIKeyGTBBTYNSKPCKQP-UHFFFAOYSA-N
MW259.70 g/mol
LogP0.47
Rot. Bonds6

About 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide (PubChem CID 55124461) has the molecular formula C9H14ClN5O2 and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
PubChem CID55124461
Molecular FormulaC9H14ClN5O2
Molecular Weight259.70 g/mol
Exact Mass259.08
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C9H14ClN5O2/c1-3-11-6(16)5-12-8-13-7(10)14-9(15-8)17-4-2/h3-5H2,1-2H3,(H,11,16)(H,12,13,14,15)
InChIKeyGTBBTYNSKPCKQP-UHFFFAOYSA-N
XLogP0.47
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide 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-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide (CID 55124461) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1nc(Cl)nc(OCC)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The InChIKey is GTBBTYNSKPCKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O2/c1-3-11-6(16)5-12-8-13-7(10)14-9(15-8)17-4-2/h3-5H2,1-2H3,(H,11,16)(H,12,13,14,15).
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide has a molecular weight of 259.70 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 55124461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).