5-Pyrimidinecarboxamide, 2-amino-N-(2-(diethylamino)ethyl)-4-methoxy-
Basic information
- CAS
72429-53-9- Standard SMILES
CCN(CC)CCNC(=O)c1cnc(N)nc1OC- InChIKey
GZCYPUTWPAOFSE-UHFFFAOYSA-N- Molecular formula
- C12H21N5O2
- Average molar mass
- 267.33 g/mol
- Monoisotopic mass
- 267.16952493
Names & identifiers
- Preferred name
- 5-Pyrimidinecarboxamide, 2-amino-N-(2-(diethylamino)ethyl)-4-methoxy-
- IUPAC
- 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
- English name
- 2-Amino-N-[2-(diethylamino)ethyl]-4-methoxy-5-pyrimidinecarboxamide
- Molecular formula
- C12H21N5O2
- Molecular weight
- 267.33
Names & synonyms
BRN 55562935-Pyrimidinecarboxamide, 2-amino-N-(2-(diethylamino)ethyl)-4-methoxy-72429-53-9DTXSID902227192-Amino-N-(2-(diethylamino)ethyl)-4-methoxy-5-pyrimidinecarboxamideRefChem:304801DTXCID701452102-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide2-Amino-N-[2-(diethylamino)ethyl]-4-methoxy-5-pyrimidinecarboxamide5-Pyrimidinecarboxamide, 2-amino-N-[2-(diethylamino)ethyl]-4-methoxy-
Database identifiers
- CAS
72429-53-9- PubChem CID
- 3055434
- DTXSID
DTXSID90222719- Nikkaji
- J70.319B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 197 °C · 197 °C(Solv: ethanol (64-17-5))
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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