2,4-Diamino-6-methoxypyrimidine-5-carbonitrile
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Basic information
- CAS
722457-66-1- Standard SMILES
COc1nc(N)nc(N)c1C#N- InChIKey
KXYCPVDRVQCYOF-UHFFFAOYSA-N- Molecular formula
- C6H7N5O
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.06505986
Names & identifiers
- Preferred name
- 2,4-Diamino-6-methoxypyrimidine-5-carbonitrile
- IUPAC
- 2,4-diamino-6-methoxypyrimidine-5-carbonitrile
- English name
- 5-Pyrimidinecarbonitrile,2,4-diamino-6-methoxy-(9CI)
- Molecular formula
- C6H7N5O
- Molecular weight
- 165.15268
Names & synonyms
2,4-diamino-6-methoxypyrimidine-5-carbonitrile722457-66-1AKOS0062923265-Pyrimidinecarbonitrile,2,4-diamino-6-methoxy-(9CI)
Database identifiers
- CAS
722457-66-1- PubChem CID
- 2793867
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
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Compound notes
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