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

C8H12N4O4 — CID 88834843

IUPACethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate
SMILESCCOC(=O)N(OC)c1ncnc(OC)n1
InChIInChI=1S/C8H12N4O4/c1-4-16-8(13)12(15-3)6-9-5-10-7(11-6)14-2/h5H,4H2,1-3H3
InChIKeySPBZYKHBINIZLV-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.40
Rot. Bonds4

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

ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate (PubChem CID 88834843) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate
PubChem CID88834843
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Nameethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate
SMILESCCOC(=O)N(OC)c1ncnc(OC)n1
InChIInChI=1S/C8H12N4O4/c1-4-16-8(13)12(15-3)6-9-5-10-7(11-6)14-2/h5H,4H2,1-3H3
InChIKeySPBZYKHBINIZLV-UHFFFAOYSA-N
XLogP0.40
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.40
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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Frequently Asked Questions

What is the IUPAC name of ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate (CID 88834843) is ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate is CCOC(=O)N(OC)c1ncnc(OC)n1.
What is the InChIKey of ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate?
The InChIKey is SPBZYKHBINIZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-4-16-8(13)12(15-3)6-9-5-10-7(11-6)14-2/h5H,4H2,1-3H3.
What are the key properties of ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate?
ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate has a molecular weight of 228.21 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methoxy-N-(4-methoxy-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 88834843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).