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

C9H14ClN5O2 — CID 62857041

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
SMILESCCOc1nc(Cl)nc(NCC(=O)N(C)C)n1
InChIInChI=1S/C9H14ClN5O2/c1-4-17-9-13-7(10)12-8(14-9)11-5-6(16)15(2)3/h4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyFLEMMIIYCONOGY-UHFFFAOYSA-N
MW259.70 g/mol
LogP0.42
Rot. Bonds5

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

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide (PubChem CID 62857041) 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,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
PubChem CID62857041
Molecular FormulaC9H14ClN5O2
Molecular Weight259.70 g/mol
Exact Mass259.08
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
SMILESCCOc1nc(Cl)nc(NCC(=O)N(C)C)n1
InChIInChI=1S/C9H14ClN5O2/c1-4-17-9-13-7(10)12-8(14-9)11-5-6(16)15(2)3/h4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyFLEMMIIYCONOGY-UHFFFAOYSA-N
XLogP0.42
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80783926
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 55125502
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405709
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62858233
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
4-chloro-6-ethoxy-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 79555926
tert-butyl N-[2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]ethyl]carbamate
CID 114518281
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 114133403
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide (CID 62857041) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide is CCOc1nc(Cl)nc(NCC(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide?
The InChIKey is FLEMMIIYCONOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O2/c1-4-17-9-13-7(10)12-8(14-9)11-5-6(16)15(2)3/h4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide has a molecular weight of 259.70 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 62857041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).