Basic information
- CAS
7498-11-5- Standard SMILES
N#CCN(C=O)c1c(N)nc(Cl)nc1Cl- InChIKey
KEHUXPXRFCBHFQ-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2N5O
- Average molar mass
- 246.05 g/mol
- Monoisotopic mass
- 244.9871152
Names & identifiers
- Preferred name
- N-(4-amino-2,6-dichloropyrimidin-5-yl)-N-(cyanomethyl)formamide
- IUPAC
- N-(4-amino-2,6-dichloropyrimidin-5-yl)-N-(cyanomethyl)formamide
Names & synonyms
7498-11-5NSC407339N-(4-amino-2,6-dichloropyrimidin-5-yl)-N-(cyanomethyl)formamideDTXSID60324638N-(4-Amino-2,6-dichloro-5-pyrimidinyl)-N-(cyanomethyl)formamideNSC-407339
Database identifiers
- CAS
7498-11-5- PubChem CID
- 348178
- DTXSID
DTXSID60324638
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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