Diethyl 2,2'-(butane-1,4-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)
Basic information
- CAS
92736-10-2- Standard SMILES
CCOC(=O)c1cnc(NCCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[nH]c1=O- InChIKey
PLTMQSHVTUMHDS-UHFFFAOYSA-N- Molecular formula
- C18H24N6O6
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.17573251
Names & identifiers
- Preferred name
- Diethyl 2,2'-(butane-1,4-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)
- IUPAC
- ethyl 2-[4-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino]butylamino]-6-oxo-1H-pyrimidine-5-carboxylate
Names & synonyms
92736-10-2Diethyl 2,2'-(butane-1,4-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)Diethyl 2,2'-[butane-1,4-diylbis(azanediyl)]bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)NSC338690DTXSID20319040NSC-338690Diethyl 2,2'-(butane-1,4-diyldiazanediyl)bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)
Database identifiers
- CAS
92736-10-2- PubChem CID
- 334266
- DTXSID
DTXSID20319040
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 761
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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