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

C15H26N6O6 — CID 20631259

IUPACN-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCOCN(COC)c1nc(N(COC)C(C)=O)nc(N(COC)C(C)=O)n1
InChIInChI=1S/C15H26N6O6/c1-11(22)20(9-26-5)14-16-13(19(7-24-3)8-25-4)17-15(18-14)21(10-27-6)12(2)23/h7-10H2,1-6H3
InChIKeyYAPZOWUYTLGSBB-UHFFFAOYSA-N
MW386.41 g/mol
LogP-0.20
Rot. Bonds11

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

N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (PubChem CID 20631259) has the molecular formula C15H26N6O6 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
PubChem CID20631259
Molecular FormulaC15H26N6O6
Molecular Weight386.41 g/mol
Exact Mass386.19
IUPAC NameN-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCOCN(COC)c1nc(N(COC)C(C)=O)nc(N(COC)C(C)=O)n1
InChIInChI=1S/C15H26N6O6/c1-11(22)20(9-26-5)14-16-13(19(7-24-3)8-25-4)17-15(18-14)21(10-27-6)12(2)23/h7-10H2,1-6H3
InChIKeyYAPZOWUYTLGSBB-UHFFFAOYSA-N
XLogP-0.20
TPSA119.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The IUPAC name of N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (CID 20631259) is N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.
What is the SMILES notation for N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The canonical SMILES for N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is COCN(COC)c1nc(N(COC)C(C)=O)nc(N(COC)C(C)=O)n1.
What is the InChIKey of N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The InChIKey is YAPZOWUYTLGSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O6/c1-11(22)20(9-26-5)14-16-13(19(7-24-3)8-25-4)17-15(18-14)21(10-27-6)12(2)23/h7-10H2,1-6H3.
What are the key properties of N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide has a molecular weight of 386.41 g/mol, XLogP of -0.20, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is sourced from PubChem (CID 20631259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).