ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate

C15H18ClN5O4 — CID 1111831

IUPACethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H18ClN5O4/c1-4-25-12(22)8-17-14-19-13(16)20-15(21-14)18-10-6-5-9(23-2)7-11(10)24-3/h5-7H,4,8H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyADNYPWDNVHDBQE-UHFFFAOYSA-N
MW367.79 g/mol
LogP2.26
Rot. Bonds8

About ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate

ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 1111831) has the molecular formula C15H18ClN5O4 and a molecular weight of 367.79 g/mol. Its IUPAC name is ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate
PubChem CID1111831
Molecular FormulaC15H18ClN5O4
Molecular Weight367.79 g/mol
Exact Mass367.10
IUPAC Nameethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H18ClN5O4/c1-4-25-12(22)8-17-14-19-13(16)20-15(21-14)18-10-6-5-9(23-2)7-11(10)24-3/h5-7H,4,8H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyADNYPWDNVHDBQE-UHFFFAOYSA-N
XLogP2.26
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Related Compounds

N-(tert-butyl)-N'-(2,4-dimethoxyphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1096074
N,N'-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 2920642
2-[4-Chloro-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3146888
2-({4-[(2,4-Dimethoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648031
6-Chloro-N-(2,4-dimethoxy-phenyl)-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 1095341
(2,4-Dimethoxy-phenyl)-(4,6-di-morpholin-4-yl-[1,3,5]triazin-2-yl)-amine
CID 1111832
N-(2,4-dimethoxyphenyl)-4,6-di-1-pyrrolidinyl-1,3,5-triazin-2-amine
CID 1292260
N2,N4-bis(2,4-dimethoxyphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 1636477
6-chloro-N,N'-bis(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 2171451
N-allyl-N'-(2,4-dimethoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 2201235
(2,4-Dimethoxyphenyl)[4-chloro-6-(prop-2-enylamino)(1,3,5-triazin-2-yl)]amine
CID 3129772
2-[4-Chloro-6-(4-ethoxy-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3132067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate (CID 1111831) is ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(Cl)nc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is ADNYPWDNVHDBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O4/c1-4-25-12(22)8-17-14-19-13(16)20-15(21-14)18-10-6-5-9(23-2)7-11(10)24-3/h5-7H,4,8H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 367.79 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-chloro-6-(2,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 1111831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).