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

C9H14N4O4 — CID 810992

IUPACethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H14N4O4/c1-4-17-6(14)5-10-7-11-8(15-2)13-9(12-7)16-3/h4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyPBHMQCFRIOQGBI-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.14
Rot. Bonds6

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

ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate (PubChem CID 810992) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate
PubChem CID810992
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H14N4O4/c1-4-17-6(14)5-10-7-11-8(15-2)13-9(12-7)16-3/h4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyPBHMQCFRIOQGBI-UHFFFAOYSA-N
XLogP-0.14
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 826236
[(4,6-Bis(dimethylamino)-[1,3,5]triazin-2-yl)(cyano)amino]acetic acid, ethyl ester
CID 3327151
Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
ethyl N-[4-(cyanomethoxy)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]glycinate
CID 3237040
methyl N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]glycinate
CID 935000
methyl 2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 753811
Chembrdg-BB 5224352
CID 788674
Proglinazine-ethyl
CID 50107
[Cyano-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 654168
[Cyano-(4-isopropylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 785950
Ethyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-methylamino]acetate
CID 46226432
Eglinazine-ethyl
CID 81091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate (CID 810992) is ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate is CCOC(=O)CNc1nc(OC)nc(OC)n1.
What is the InChIKey of ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate?
The InChIKey is PBHMQCFRIOQGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-4-17-6(14)5-10-7-11-8(15-2)13-9(12-7)16-3/h4-5H2,1-3H3,(H,10,11,12,13).
What are the key properties of ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate?
ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate has a molecular weight of 242.23 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetate is sourced from PubChem (CID 810992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).