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

C9H16N6O2 — CID 80789784

IUPACethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H16N6O2/c1-4-17-6(16)5-11-8-12-7(10)13-9(14-8)15(2)3/h4-5H2,1-3H3,(H3,10,11,12,13,14)
InChIKeyZFPMVACEYCTEFN-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.51
Rot. Bonds5

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

ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 80789784) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
PubChem CID80789784
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Nameethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H16N6O2/c1-4-17-6(16)5-11-8-12-7(10)13-9(14-8)15(2)3/h4-5H2,1-3H3,(H3,10,11,12,13,14)
InChIKeyZFPMVACEYCTEFN-UHFFFAOYSA-N
XLogP-0.51
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate (CID 80789784) is ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(N)nc(N(C)C)n1.
What is the InChIKey of ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is ZFPMVACEYCTEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-4-17-6(16)5-11-8-12-7(10)13-9(14-8)15(2)3/h4-5H2,1-3H3,(H3,10,11,12,13,14).
What are the key properties of ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 240.27 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 80789784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).