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

C12H16N6O3 — CID 712287

IUPACethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C#N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16N6O3/c1-2-21-10(19)8-14-11-15-9(7-13)16-12(17-11)18-3-5-20-6-4-18/h2-6,8H2,1H3,(H,14,15,16,17)
InChIKeyCBKQRZMNTMRXDP-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.45
Rot. Bonds5

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

ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate (PubChem CID 712287) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
PubChem CID712287
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Nameethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C#N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16N6O3/c1-2-21-10(19)8-14-11-15-9(7-13)16-12(17-11)18-3-5-20-6-4-18/h2-6,8H2,1H3,(H,14,15,16,17)
InChIKeyCBKQRZMNTMRXDP-UHFFFAOYSA-N
XLogP-0.45
TPSA113.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetate
CID 5244583
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate
CID 2957582
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
4-[2-(furan-2-yl)ethylamino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 10063365
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863353
ethyl (3S)-3-[[4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoate
CID 42584005
ethyl 3-[[4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoate
CID 3877386
1-O-methyl 4-O-[2-[[4-morpholin-4-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethyl] butanedioate
CID 110178192
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate (CID 712287) is ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate is CCOC(=O)CNc1nc(C#N)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The InChIKey is CBKQRZMNTMRXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-2-21-10(19)8-14-11-15-9(7-13)16-12(17-11)18-3-5-20-6-4-18/h2-6,8H2,1H3,(H,14,15,16,17).
What are the key properties of ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate has a molecular weight of 292.30 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate is sourced from PubChem (CID 712287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).