methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate

C7H10N4O4 — CID 88835182

IUPACmethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)N(OC)c1ncnc(OC)n1
InChIInChI=1S/C7H10N4O4/c1-13-6-9-4-8-5(10-6)11(15-3)7(12)14-2/h4H,1-3H3
InChIKeyBYIBMXLUKKVNDR-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.01
Rot. Bonds3

About methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate

methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate (PubChem CID 88835182) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate
PubChem CID88835182
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Namemethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)N(OC)c1ncnc(OC)n1
InChIInChI=1S/C7H10N4O4/c1-13-6-9-4-8-5(10-6)11(15-3)7(12)14-2/h4H,1-3H3
InChIKeyBYIBMXLUKKVNDR-UHFFFAOYSA-N
XLogP0.01
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
Methyl carbamate;1,3,5-triazine
CID 21253744
methyl N,N-dimethylcarbamate;1,3,5-triazine
CID 69378030
N-methoxy-N-(1,3,5-triazin-2-yl)formamide
CID 88231013
ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate
CID 88834843
N-methoxy-N-(methoxymethyl)-1,3,5-triazin-2-amine
CID 174526913

Frequently Asked Questions

What is the IUPAC name of methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate (CID 88835182) is methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate is COC(=O)N(OC)c1ncnc(OC)n1.
What is the InChIKey of methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate?
The InChIKey is BYIBMXLUKKVNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-13-6-9-4-8-5(10-6)11(15-3)7(12)14-2/h4H,1-3H3.
What are the key properties of methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate?
methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate has a molecular weight of 214.18 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 88835182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).