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

C14H26N6O6 — CID 21356882

IUPACN-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCOCN(CO)c1nc(N(COC)COC)nc(N(COC)C(C)=O)n1
InChIInChI=1S/C14H26N6O6/c1-11(22)20(10-26-5)14-16-12(18(6-21)7-23-2)15-13(17-14)19(8-24-3)9-25-4/h21H,6-10H2,1-5H3
InChIKeyBPJZDLMLQBIFTN-UHFFFAOYSA-N
MW374.40 g/mol
LogP-0.80
Rot. Bonds12

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

N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (PubChem CID 21356882) has the molecular formula C14H26N6O6 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.

Molecular Properties

Compound NameN-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
PubChem CID21356882
Molecular FormulaC14H26N6O6
Molecular Weight374.40 g/mol
Exact Mass374.19
IUPAC NameN-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCOCN(CO)c1nc(N(COC)COC)nc(N(COC)C(C)=O)n1
InChIInChI=1S/C14H26N6O6/c1-11(22)20(10-26-5)14-16-12(18(6-21)7-23-2)15-13(17-14)19(8-24-3)9-25-4/h21H,6-10H2,1-5H3
InChIKeyBPJZDLMLQBIFTN-UHFFFAOYSA-N
XLogP-0.80
TPSA122.61 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide 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 N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The IUPAC name of N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (CID 21356882) is N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.
What is the SMILES notation for N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The canonical SMILES for N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is COCN(CO)c1nc(N(COC)COC)nc(N(COC)C(C)=O)n1.
What is the InChIKey of N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The InChIKey is BPJZDLMLQBIFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O6/c1-11(22)20(10-26-5)14-16-12(18(6-21)7-23-2)15-13(17-14)19(8-24-3)9-25-4/h21H,6-10H2,1-5H3.
What are the key properties of N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of -0.80, 12 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-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is sourced from PubChem (CID 21356882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).