Basic information
- CAS
7498-16-0- Standard SMILES
CCCCN(C=O)c1c(N)ncnc1Cl- InChIKey
NCJVYHHJFKBUDJ-UHFFFAOYSA-N- Molecular formula
- C9H13ClN4O
- Average molar mass
- 228.68 g/mol
- Monoisotopic mass
- 228.0777887
Names & identifiers
- Preferred name
- N-(4-amino-6-chloropyrimidin-5-yl)-N-butylformamide
- IUPAC
- N-(4-amino-6-chloropyrimidin-5-yl)-N-butylformamide
Names & synonyms
7498-16-0N-(4-amino-6-chloropyrimidin-5-yl)-N-butylformamideNSC407345N-(4-Amino-6-chloro-5-pyrimidinyl)-N-butylformamideDTXSID10324643NSC-407345
Database identifiers
- CAS
7498-16-0- PubChem CID
- 348183
- DTXSID
DTXSID10324643
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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