Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, carbamate (ester)

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Basic information

CAS: 127375-13-7
Standard SMILES: CCCc1nc(NCCOC(N)=O)nc(N2CCOCC2)n1
InChIKey: IPFGANKJVCHCJU-UHFFFAOYSA-N
Molecular formula: C13H22N6O3
Average molar mass: 310.35 g/mol
Monoisotopic mass: 310.17533859

Names & identifiers

Preferred name: Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, carbamate (ester)
IUPAC: 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate

Names & synonyms

127375-13-72-((2-((Aminocarbonyl)oxy)ethyl)amino)-4-morpholino-6-propyl-1,3,5-triazine2-((4-(4-Morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)ethanol carbamate (ester)Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, carbamate (ester)DTXSID701555362-[[2-[(aminocarbonyl)oxy]ethyl]amino]-4-morpholino-6-propyl-1,3,5-triazineRefChem:340789DTXCID6078027SCHEMBL9619263IPFGANKJVCHCJU-UHFFFAOYSA-N2-{[4-(MORPHOLIN-4-YL)-6-PROPYL-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL CARBAMATE

Database identifiers

CAS: 127375-13-7
PubChem CID: 3080163
DTXSID: DTXSID70155536

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 115 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 340

Related reactions

3 records

New reaction record

HRID 292116As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1031871As productuspto-grants-1990_09

HRID 1031877As productuspto-grants-1990_09

Compound notes

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