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

C8H16N6O2 — CID 21195076

IUPAC[butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
SMILESCCCCON(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-2-3-4-16-14(5-15)8-12-6(9)11-7(10)13-8/h15H,2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyYLTSRJVQAMBSMU-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.48
Rot. Bonds6

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

[butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol (PubChem CID 21195076) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol.

Molecular Properties

Compound Name[butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
PubChem CID21195076
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name[butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
SMILESCCCCON(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-2-3-4-16-14(5-15)8-12-6(9)11-7(10)13-8/h15H,2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyYLTSRJVQAMBSMU-UHFFFAOYSA-N
XLogP-0.48
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol?
The IUPAC name of [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol (CID 21195076) is [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol.
What is the SMILES notation for [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol?
The canonical SMILES for [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol is CCCCON(CO)c1nc(N)nc(N)n1.
What is the InChIKey of [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol?
The InChIKey is YLTSRJVQAMBSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-2-3-4-16-14(5-15)8-12-6(9)11-7(10)13-8/h15H,2-5H2,1H3,(H4,9,10,11,12,13).
What are the key properties of [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol?
[butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol has a molecular weight of 228.26 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol is sourced from PubChem (CID 21195076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).