5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-
Completing data — refresh the page later to see the latest
Basic information
- CAS
72412-36-3- Standard SMILES
CCN1CCCC1CNC(=O)c1cnc(N)nc1OC- InChIKey
OJTIYLGSEAWCNT-UHFFFAOYSA-N- Molecular formula
- C13H21N5O2
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.16952493
Names & identifiers
- Preferred name
- 5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-
- IUPAC
- 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
- English name
- 2-(2-Amino-4-methoxy-5-pyrimidinyl carboxamidomethyl)-1-ethylpyrrolidi ne
- Molecular formula
- C13H21N5O2
- Molecular weight
- 279.34
Names & synonyms
72412-36-32-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methyl-5-pyrimidinecarboxamide5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-2-(2-Amino-4-methoxy-5-pyrimidinyl carboxamidomethyl)-1-ethylpyrrolidineRefChem:304793DTXSID109932122-(2-Amino-4-methoxy-5-pyrimidinyl carboxamidomethyl)-1-ethylpyrrolidi neN-[(1-Ethylpyrrolidin-2-yl)methyl]-2-imino-4-methoxy-1,2-dihydropyrimidine-5-carboximidic acid2-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-5-pyrimidinecarboxamide5-Pyrimidinecarboxamide, 2-amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-
Database identifiers
- CAS
72412-36-3- PubChem CID
- 3055413
- DTXSID
DTXSID10993212- Nikkaji
- J70.332J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 212 °C · 212 °C(Solv: 1-butanol (71-36-3))
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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