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

C8H16N6O2 — CID 21195075

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol
SMILESCC(C)CON(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-5(2)3-16-14(4-15)8-12-6(9)11-7(10)13-8/h5,15H,3-4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyZDIZOOZRZQMTTD-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.62
Rot. Bonds5

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

[(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol (PubChem CID 21195075) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol
PubChem CID21195075
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol
SMILESCC(C)CON(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-5(2)3-16-14(4-15)8-12-6(9)11-7(10)13-8/h5,15H,3-4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyZDIZOOZRZQMTTD-UHFFFAOYSA-N
XLogP-0.62
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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)-(2-methylpropoxy)amino]methanol?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol (CID 21195075) is [(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol is CC(C)CON(CO)c1nc(N)nc(N)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol?
The InChIKey is ZDIZOOZRZQMTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-5(2)3-16-14(4-15)8-12-6(9)11-7(10)13-8/h5,15H,3-4H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol?
[(4,6-diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol has a molecular weight of 228.26 g/mol, XLogP of -0.62, 5 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)-(2-methylpropoxy)amino]methanol is sourced from PubChem (CID 21195075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).