5-Pyrimidinecarboxamide, 2-amino-N-((1-benzyl-2-pyrrolidinyl)methyl)-4-methoxy-
Basic information
- CAS
72412-48-7- Standard SMILES
COc1nc(N)ncc1C(=O)NCC1CCCN1Cc1ccccc1- InChIKey
ITUXXWAKOIUTTP-UHFFFAOYSA-N- Molecular formula
- C18H23N5O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.18517499
Names & identifiers
- Preferred name
- 5-Pyrimidinecarboxamide, 2-amino-N-((1-benzyl-2-pyrrolidinyl)methyl)-4-methoxy-
- IUPAC
- 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
- English name
- 2-Amino-N-[(1-benzyl-2-pyrrolidinyl)methyl]-4-methoxy-5-pyrimidinecarboxamide
- Molecular formula
- C18H23N5O2
- Molecular weight
- 341.41
Names & synonyms
BRN 560982172412-48-72-Amino-N-((1-benzyl-2-pyrrolidinyl)methyl)-4-methoxy-5-pyrimidinecarboxamide5-Pyrimidinecarboxamide, 2-amino-N-((1-benzyl-2-pyrrolidinyl)methyl)-4-methoxy-RefChem:304787DTXSID50993216N-[(1-Benzylpyrrolidin-2-yl)methyl]-2-imino-4-methoxy-1,2-dihydropyrimidine-5-carboximidic acid2-Amino-N-[(1-benzyl-2-pyrrolidinyl)methyl]-4-methoxy-5-pyrimidinecarboxamide5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-[[1-(phenylmethyl)-2-pyrrolidinyl]methyl]-
Database identifiers
- CAS
72412-48-7- PubChem CID
- 3055422
- DTXSID
DTXSID50993216- Nikkaji
- J70.316H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 430
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Compound notes
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