Basic information
- CAS
1189002-99-0- Standard SMILES
COCCCNc1ncc(C(=O)O)c(C)n1- InChIKey
QZZUGLRSJBVCGN-UHFFFAOYSA-N- Molecular formula
- C10H15N3O3
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.11134135
Names & identifiers
- Preferred name
- 2-[(3-Methoxypropyl)amino]-4-methylpyrimidine-5-carboxylic acid
- IUPAC
- 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid
Names & synonyms
2-[(3-methoxypropyl)amino]-4-methylpyrimidine-5-carboxylic acid1189002-99-05-Pyrimidinecarboxylic acid, 2-[(3-methoxypropyl)amino]-4-methyl-DTXSID601173355STL389371AKOS0026838722-[(3-methoxypropyl)amino]-4-methyl-5-pyrimidinecarboxylic acid
Database identifiers
- CAS
1189002-99-0- PubChem CID
- 46397635
- DTXSID
DTXSID601173355
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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