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

C12H20N6O3 — CID 80783472

IUPACethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O3/c1-3-21-9(19)8(2)14-11-15-10(13)16-12(17-11)18-4-6-20-7-5-18/h8H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyNXYLFLALGAQUGS-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.35
Rot. Bonds5

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

ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate (PubChem CID 80783472) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
PubChem CID80783472
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Nameethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O3/c1-3-21-9(19)8(2)14-11-15-10(13)16-12(17-11)18-4-6-20-7-5-18/h8H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyNXYLFLALGAQUGS-UHFFFAOYSA-N
XLogP-0.35
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80781706
2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80781816
(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80848988
2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80844752
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80804171
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80803085
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80803084
2-N-[1-(furan-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80774193
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea
CID 110178402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate (CID 80783472) is ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate is CCOC(=O)C(C)Nc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate?
The InChIKey is NXYLFLALGAQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-3-21-9(19)8(2)14-11-15-10(13)16-12(17-11)18-4-6-20-7-5-18/h8H,3-7H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate?
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate has a molecular weight of 296.33 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate is sourced from PubChem (CID 80783472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).