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

C10H20N6O6 — CID 22481448

IUPAC[[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
SMILESCOC(OC)(OC)N(CO)c1nc(N)nc(N(CO)CO)n1
InChIInChI=1S/C10H20N6O6/c1-20-10(21-2,22-3)16(6-19)9-13-7(11)12-8(14-9)15(4-17)5-18/h17-19H,4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyUPVQHMDPVGJSDU-UHFFFAOYSA-N
MW320.31 g/mol
LogP-2.53
Rot. Bonds9

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

[[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol (PubChem CID 22481448) has the molecular formula C10H20N6O6 and a molecular weight of 320.31 g/mol. Its IUPAC name is [[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol.

Molecular Properties

Compound Name[[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
PubChem CID22481448
Molecular FormulaC10H20N6O6
Molecular Weight320.31 g/mol
Exact Mass320.14
IUPAC Name[[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
SMILESCOC(OC)(OC)N(CO)c1nc(N)nc(N(CO)CO)n1
InChIInChI=1S/C10H20N6O6/c1-20-10(21-2,22-3)16(6-19)9-13-7(11)12-8(14-9)15(4-17)5-18/h17-19H,4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyUPVQHMDPVGJSDU-UHFFFAOYSA-N
XLogP-2.53
TPSA159.55 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol?
The IUPAC name of [[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol (CID 22481448) is [[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol.
What is the SMILES notation for [[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol?
The canonical SMILES for [[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol is COC(OC)(OC)N(CO)c1nc(N)nc(N(CO)CO)n1.
What is the InChIKey of [[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol?
The InChIKey is UPVQHMDPVGJSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O6/c1-20-10(21-2,22-3)16(6-19)9-13-7(11)12-8(14-9)15(4-17)5-18/h17-19H,4-6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of [[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol?
[[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol has a molecular weight of 320.31 g/mol, XLogP of -2.53, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol is sourced from PubChem (CID 22481448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).