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

C10H16N4O4 — CID 62861779

IUPACethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H16N4O4/c1-5-18-7(15)6(2)11-8-12-9(16-3)14-10(13-8)17-4/h6H,5H2,1-4H3,(H,11,12,13,14)
InChIKeyPZUUCCFBUAXTOR-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.25
Rot. Bonds6

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

ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate (PubChem CID 62861779) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate
PubChem CID62861779
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H16N4O4/c1-5-18-7(15)6(2)11-8-12-9(16-3)14-10(13-8)17-4/h6H,5H2,1-4H3,(H,11,12,13,14)
InChIKeyPZUUCCFBUAXTOR-UHFFFAOYSA-N
XLogP0.25
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate (CID 62861779) is ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate is CCOC(=O)C(C)Nc1nc(OC)nc(OC)n1.
What is the InChIKey of ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate?
The InChIKey is PZUUCCFBUAXTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-5-18-7(15)6(2)11-8-12-9(16-3)14-10(13-8)17-4/h6H,5H2,1-4H3,(H,11,12,13,14).
What are the key properties of ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate?
ethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate has a molecular weight of 256.26 g/mol, XLogP of 0.25, 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]propanoate is sourced from PubChem (CID 62861779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).