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

C10H16ClN5O3 — CID 113405709

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCOc1nc(Cl)nc(NCC(=O)NCCOC)n1
InChIInChI=1S/C10H16ClN5O3/c1-3-19-10-15-8(11)14-9(16-10)13-6-7(17)12-4-5-18-2/h3-6H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyJFXPBSJVXHUPSN-UHFFFAOYSA-N
MW289.72 g/mol
LogP0.10
Rot. Bonds8

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

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 113405709) has the molecular formula C10H16ClN5O3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID113405709
Molecular FormulaC10H16ClN5O3
Molecular Weight289.72 g/mol
Exact Mass289.09
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCOc1nc(Cl)nc(NCC(=O)NCCOC)n1
InChIInChI=1S/C10H16ClN5O3/c1-3-19-10-15-8(11)14-9(16-10)13-6-7(17)12-4-5-18-2/h3-6H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyJFXPBSJVXHUPSN-UHFFFAOYSA-N
XLogP0.10
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80788310
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62858233
1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 114165069
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858555
4-chloro-6-ethoxy-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 79555926
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
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]amino]-N-ethylacetamide
CID 80786907

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide (CID 113405709) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide is CCOc1nc(Cl)nc(NCC(=O)NCCOC)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is JFXPBSJVXHUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O3/c1-3-19-10-15-8(11)14-9(16-10)13-6-7(17)12-4-5-18-2/h3-6H2,1-2H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 289.72 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113405709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).