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

C13H24N6O6 — CID 59602554

IUPACN-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCOCN(O)c1nc(N(COC)COC)nc(N(COC)C(C)=O)n1
InChIInChI=1S/C13H24N6O6/c1-10(20)18(8-24-4)12-14-11(17(6-22-2)7-23-3)15-13(16-12)19(21)9-25-5/h21H,6-9H2,1-5H3
InChIKeySOKLAINFLDDZCK-UHFFFAOYSA-N
MW360.37 g/mol
LogP-0.36
Rot. Bonds11

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

N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (PubChem CID 59602554) has the molecular formula C13H24N6O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.

Molecular Properties

Compound NameN-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
PubChem CID59602554
Molecular FormulaC13H24N6O6
Molecular Weight360.37 g/mol
Exact Mass360.18
IUPAC NameN-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCOCN(O)c1nc(N(COC)COC)nc(N(COC)C(C)=O)n1
InChIInChI=1S/C13H24N6O6/c1-10(20)18(8-24-4)12-14-11(17(6-22-2)7-23-3)15-13(16-12)19(21)9-25-5/h21H,6-9H2,1-5H3
InChIKeySOKLAINFLDDZCK-UHFFFAOYSA-N
XLogP-0.36
TPSA122.61 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The IUPAC name of N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (CID 59602554) is N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.
What is the SMILES notation for N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The canonical SMILES for N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is COCN(O)c1nc(N(COC)COC)nc(N(COC)C(C)=O)n1.
What is the InChIKey of N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The InChIKey is SOKLAINFLDDZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O6/c1-10(20)18(8-24-4)12-14-11(17(6-22-2)7-23-3)15-13(16-12)19(21)9-25-5/h21H,6-9H2,1-5H3.
What are the key properties of N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide has a molecular weight of 360.37 g/mol, XLogP of -0.36, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is sourced from PubChem (CID 59602554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).