5-Pyrimidineacetic acid, 4-(diethylamino)-2-(4-morpholinyl)-, ethyl ester, (Z)-2-butenedioate (1:1)
Basic information
- CAS
122113-46-6- Standard SMILES
CCOC(=O)Cc1cnc(N2CCOCC2)nc1N(CC)CC.O=C(O)/C=C/C(=O)O- InChIKey
CNGCPQRHROHMKD-WLHGVMLRSA-N- Molecular formula
- C20H30N4O7
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.21144931
Names & identifiers
- Preferred name
- 5-Pyrimidineacetic acid, 4-(diethylamino)-2-(4-morpholinyl)-, ethyl ester, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;ethyl 2-[4-(diethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetate
Names & synonyms
122113-46-65-Pyrimidineacetic acid, 4-(diethylamino)-2-(4-morpholinyl)-, ethyl ester, (Z)-2-butenedioate (1:1)RefChem:1073246
Database identifiers
- CAS
122113-46-6- PubChem CID
- 6449459
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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