2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate

C7H11N5O2 — CID 56624866

IUPAC2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate
SMILESCC(=O)OCCc1nc(N)nc(N)n1
InChIInChI=1S/C7H11N5O2/c1-4(13)14-3-2-5-10-6(8)12-7(9)11-5/h2-3H2,1H3,(H4,8,9,10,11,12)
InChIKeySNPNOTPSONIKCF-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.86
Rot. Bonds3

About 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate

2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate (PubChem CID 56624866) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate
PubChem CID56624866
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate
SMILESCC(=O)OCCc1nc(N)nc(N)n1
InChIInChI=1S/C7H11N5O2/c1-4(13)14-3-2-5-10-6(8)12-7(9)11-5/h2-3H2,1H3,(H4,8,9,10,11,12)
InChIKeySNPNOTPSONIKCF-UHFFFAOYSA-N
XLogP-0.86
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate?
The IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate (CID 56624866) is 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate.
What is the SMILES notation for 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate?
The canonical SMILES for 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate is CC(=O)OCCc1nc(N)nc(N)n1.
What is the InChIKey of 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate?
The InChIKey is SNPNOTPSONIKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-4(13)14-3-2-5-10-6(8)12-7(9)11-5/h2-3H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate?
2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate has a molecular weight of 197.20 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate is sourced from PubChem (CID 56624866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).