[[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol

C10H20N6O6 — CID 87329866

IUPAC[[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol
SMILESCOC(O)N(CO)c1nc(N(C)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H20N6O6/c1-14(20-3)7-11-8(15(6-17)10(18)19-2)13-9(12-7)16(21-4)22-5/h10,17-18H,6H2,1-5H3
InChIKeyWBOZXZZZDZEHHR-UHFFFAOYSA-N
MW320.31 g/mol
LogP-1.52
Rot. Bonds9

About [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol

[[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol (PubChem CID 87329866) has the molecular formula C10H20N6O6 and a molecular weight of 320.31 g/mol. Its IUPAC name is [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol.

Molecular Properties

Compound Name[[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol
PubChem CID87329866
Molecular FormulaC10H20N6O6
Molecular Weight320.31 g/mol
Exact Mass320.14
IUPAC Name[[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol
SMILESCOC(O)N(CO)c1nc(N(C)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H20N6O6/c1-14(20-3)7-11-8(15(6-17)10(18)19-2)13-9(12-7)16(21-4)22-5/h10,17-18H,6H2,1-5H3
InChIKeyWBOZXZZZDZEHHR-UHFFFAOYSA-N
XLogP-1.52
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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'}

Analyze [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol 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-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol?
The IUPAC name of [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol (CID 87329866) is [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol.
What is the SMILES notation for [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol?
The canonical SMILES for [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol is COC(O)N(CO)c1nc(N(C)OC)nc(N(OC)OC)n1.
What is the InChIKey of [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol?
The InChIKey is WBOZXZZZDZEHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O6/c1-14(20-3)7-11-8(15(6-17)10(18)19-2)13-9(12-7)16(21-4)22-5/h10,17-18H,6H2,1-5H3.
What are the key properties of [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol?
[[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol has a molecular weight of 320.31 g/mol, XLogP of -1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol is sourced from PubChem (CID 87329866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).