N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide

C13H24N6O6 — CID 156601175

IUPACN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
SMILESCOCN(COC)c1nc(N(C=O)CO)nc(N(COC)COC)n1
InChIInChI=1S/C13H24N6O6/c1-22-7-18(8-23-2)12-14-11(17(5-20)6-21)15-13(16-12)19(9-24-3)10-25-4/h5,21H,6-10H2,1-4H3
InChIKeyPRDOSDUGXKTFET-UHFFFAOYSA-N
MW360.37 g/mol
LogP-1.19
Rot. Bonds13

About N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide

N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide (PubChem CID 156601175) has the molecular formula C13H24N6O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide.

Molecular Properties

Compound NameN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
PubChem CID156601175
Molecular FormulaC13H24N6O6
Molecular Weight360.37 g/mol
Exact Mass360.18
IUPAC NameN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
SMILESCOCN(COC)c1nc(N(C=O)CO)nc(N(COC)COC)n1
InChIInChI=1S/C13H24N6O6/c1-22-7-18(8-23-2)12-14-11(17(5-20)6-21)15-13(16-12)19(9-24-3)10-25-4/h5,21H,6-10H2,1-4H3
InChIKeyPRDOSDUGXKTFET-UHFFFAOYSA-N
XLogP-1.19
TPSA122.61 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The IUPAC name of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide (CID 156601175) is N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide.
What is the SMILES notation for N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The canonical SMILES for N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide is COCN(COC)c1nc(N(C=O)CO)nc(N(COC)COC)n1.
What is the InChIKey of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The InChIKey is PRDOSDUGXKTFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O6/c1-22-7-18(8-23-2)12-14-11(17(5-20)6-21)15-13(16-12)19(9-24-3)10-25-4/h5,21H,6-10H2,1-4H3.
What are the key properties of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide has a molecular weight of 360.37 g/mol, XLogP of -1.19, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide is sourced from PubChem (CID 156601175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).