ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate

C8H12N4O3 — CID 597760

IUPACethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(N)nc(OCC)n1
InChIInChI=1S/C8H12N4O3/c1-3-14-6(13)5-10-7(9)12-8(11-5)15-4-2/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyPPKWCFUIUZDNBV-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.03
Rot. Bonds4

About ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate

ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate (PubChem CID 597760) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate
PubChem CID597760
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Nameethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(N)nc(OCC)n1
InChIInChI=1S/C8H12N4O3/c1-3-14-6(13)5-10-7(9)12-8(11-5)15-4-2/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyPPKWCFUIUZDNBV-UHFFFAOYSA-N
XLogP0.03
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate?
The IUPAC name of ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate (CID 597760) is ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate is CCOC(=O)c1nc(N)nc(OCC)n1.
What is the InChIKey of ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate?
The InChIKey is PPKWCFUIUZDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-3-14-6(13)5-10-7(9)12-8(11-5)15-4-2/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate?
ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate has a molecular weight of 212.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 597760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).