2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate

C13H24N6O4 — CID 21434559

IUPAC2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNc1nc(OC)nc(N(COC)C(C)C)n1
InChIInChI=1S/C13H24N6O4/c1-9(2)19(8-21-4)11-16-10(17-12(18-11)22-5)15-6-7-23-13(20)14-3/h9H,6-8H2,1-5H3,(H,14,20)(H,15,16,17,18)
InChIKeyCLCGODBOPVFYBO-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.47
Rot. Bonds9

About 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate

2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate (PubChem CID 21434559) has the molecular formula C13H24N6O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
PubChem CID21434559
Molecular FormulaC13H24N6O4
Molecular Weight328.37 g/mol
Exact Mass328.19
IUPAC Name2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNc1nc(OC)nc(N(COC)C(C)C)n1
InChIInChI=1S/C13H24N6O4/c1-9(2)19(8-21-4)11-16-10(17-12(18-11)22-5)15-6-7-23-13(20)14-3/h9H,6-8H2,1-5H3,(H,14,20)(H,15,16,17,18)
InChIKeyCLCGODBOPVFYBO-UHFFFAOYSA-N
XLogP0.47
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The IUPAC name of 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate (CID 21434559) is 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate is CNC(=O)OCCNc1nc(OC)nc(N(COC)C(C)C)n1.
What is the InChIKey of 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The InChIKey is CLCGODBOPVFYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O4/c1-9(2)19(8-21-4)11-16-10(17-12(18-11)22-5)15-6-7-23-13(20)14-3/h9H,6-8H2,1-5H3,(H,14,20)(H,15,16,17,18).
What are the key properties of 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate has a molecular weight of 328.37 g/mol, XLogP of 0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-6-[methoxymethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate is sourced from PubChem (CID 21434559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).