ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate

C16H21N5O3 — CID 662114

IUPACethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate
SMILESCCOC(=O)COc1nc(Nc2ccccc2C)nc(N(C)C)n1
InChIInChI=1S/C16H21N5O3/c1-5-23-13(22)10-24-16-19-14(18-15(20-16)21(3)4)17-12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,17,18,19,20)
InChIKeyNLMIHQQSSTZOKJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.93
Rot. Bonds7

About ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate

ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate (PubChem CID 662114) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate
PubChem CID662114
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Nameethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate
SMILESCCOC(=O)COc1nc(Nc2ccccc2C)nc(N(C)C)n1
InChIInChI=1S/C16H21N5O3/c1-5-23-13(22)10-24-16-19-14(18-15(20-16)21(3)4)17-12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,17,18,19,20)
InChIKeyNLMIHQQSSTZOKJ-UHFFFAOYSA-N
XLogP1.93
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate with MolForge

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Related Compounds

Ethyl 2-{[4-chloro-6-(4-toluidino)-1,3,5-triazin-2-yl]amino}acetate
CID 4237348
(4-Dimethylamino-6-m-tolylamino-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 1895646
2-[[4-Chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid
CID 13413762
6-Ethoxy-N2-(4-iodo-2-methylphenyl)-N4-(prop-2-EN-1-YL)-1,3,5-triazine-2,4-diamine
CID 5044159
N2-Cyclohexyl-6-ethoxy-N4-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 5044162
Ethyl 4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]butanoate
CID 58039597
Ethyl 3-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]propanoate
CID 58039882
Propyl 4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]butanoate
CID 58039946
Propyl 2-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetate
CID 58040060
4-[3-(dimethylamino)propoxy]-6-ethoxy-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040159
Propyl 3-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]propanoate
CID 58040350
N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 161348200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate (CID 662114) is ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate is CCOC(=O)COc1nc(Nc2ccccc2C)nc(N(C)C)n1.
What is the InChIKey of ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate?
The InChIKey is NLMIHQQSSTZOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-5-23-13(22)10-24-16-19-14(18-15(20-16)21(3)4)17-12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,17,18,19,20).
What are the key properties of ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate?
ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate has a molecular weight of 331.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(dimethylamino)-6-(2-methylanilino)-1,3,5-triazin-2-yl]oxy]acetate is sourced from PubChem (CID 662114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).