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

C9H14ClN5O2 — CID 62858233

IUPAC3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCCOc1nc(Cl)nc(NCCC(=O)NC)n1
InChIInChI=1S/C9H14ClN5O2/c1-3-17-9-14-7(10)13-8(15-9)12-5-4-6(16)11-2/h3-5H2,1-2H3,(H,11,16)(H,12,13,14,15)
InChIKeyWMOVWKZYSFJNNT-UHFFFAOYSA-N
MW259.70 g/mol
LogP0.47
Rot. Bonds6

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

3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (PubChem CID 62858233) has the molecular formula C9H14ClN5O2 and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
PubChem CID62858233
Molecular FormulaC9H14ClN5O2
Molecular Weight259.70 g/mol
Exact Mass259.08
IUPAC Name3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCCOc1nc(Cl)nc(NCCC(=O)NC)n1
InChIInChI=1S/C9H14ClN5O2/c1-3-17-9-14-7(10)13-8(15-9)12-5-4-6(16)11-2/h3-5H2,1-2H3,(H,11,16)(H,12,13,14,15)
InChIKeyWMOVWKZYSFJNNT-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

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Related Compounds

3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80903565
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
tert-butyl N-[2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]ethyl]carbamate
CID 114518281
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405709
4-chloro-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-1,3,5-triazin-2-amine
CID 114156897
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (CID 62858233) is 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is CCOc1nc(Cl)nc(NCCC(=O)NC)n1.
What is the InChIKey of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The InChIKey is WMOVWKZYSFJNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O2/c1-3-17-9-14-7(10)13-8(15-9)12-5-4-6(16)11-2/h3-5H2,1-2H3,(H,11,16)(H,12,13,14,15).
What are the key properties of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide 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 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 62858233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).