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

C6H10N6O2 — CID 174761395

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate
SMILESCC(=O)OCNc1nc(N)nc(N)n1
InChIInChI=1S/C6H10N6O2/c1-3(13)14-2-9-6-11-4(7)10-5(8)12-6/h2H2,1H3,(H5,7,8,9,10,11,12)
InChIKeySJZVFTGMMSLHIH-UHFFFAOYSA-N
MW198.19 g/mol
LogP-1.03
Rot. Bonds3

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

[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate (PubChem CID 174761395) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate
PubChem CID174761395
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate
SMILESCC(=O)OCNc1nc(N)nc(N)n1
InChIInChI=1S/C6H10N6O2/c1-3(13)14-2-9-6-11-4(7)10-5(8)12-6/h2H2,1H3,(H5,7,8,9,10,11,12)
InChIKeySJZVFTGMMSLHIH-UHFFFAOYSA-N
XLogP-1.03
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate (CID 174761395) is [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate is CC(=O)OCNc1nc(N)nc(N)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate?
The InChIKey is SJZVFTGMMSLHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2/c1-3(13)14-2-9-6-11-4(7)10-5(8)12-6/h2H2,1H3,(H5,7,8,9,10,11,12).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate?
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate has a molecular weight of 198.19 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl acetate is sourced from PubChem (CID 174761395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).