[[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol

C8H16N6O2 — CID 10198476

IUPAC[[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol
SMILESCNc1nc(N(C)CO)nc(N(C)CO)n1
InChIInChI=1S/C8H16N6O2/c1-9-6-10-7(13(2)4-15)12-8(11-6)14(3)5-16/h15-16H,4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyPWSXIPDXINQUKQ-UHFFFAOYSA-N
MW228.26 g/mol
LogP-1.31
Rot. Bonds5

About [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol

[[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol (PubChem CID 10198476) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol.

Molecular Properties

Compound Name[[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol
PubChem CID10198476
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name[[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol
SMILESCNc1nc(N(C)CO)nc(N(C)CO)n1
InChIInChI=1S/C8H16N6O2/c1-9-6-10-7(13(2)4-15)12-8(11-6)14(3)5-16/h15-16H,4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyPWSXIPDXINQUKQ-UHFFFAOYSA-N
XLogP-1.31
TPSA97.64 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 ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol?
The IUPAC name of [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol (CID 10198476) is [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol.
What is the SMILES notation for [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol?
The canonical SMILES for [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol is CNc1nc(N(C)CO)nc(N(C)CO)n1.
What is the InChIKey of [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol?
The InChIKey is PWSXIPDXINQUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-9-6-10-7(13(2)4-15)12-8(11-6)14(3)5-16/h15-16H,4-5H2,1-3H3,(H,9,10,11,12).
What are the key properties of [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol?
[[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol has a molecular weight of 228.26 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[hydroxymethyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methanol is sourced from PubChem (CID 10198476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).