Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate
Basic information
- CAS
19796-60-2- Standard SMILES
COC(=O)c1nc(N)nc(N)c1[N+](=O)[O-]- InChIKey
GEGZZLDMKGCMSS-UHFFFAOYSA-N- Molecular formula
- C6H7N5O4
- Average molar mass
- 213.15 g/mol
- Monoisotopic mass
- 213.04980372
Names & identifiers
- Preferred name
- Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate
- IUPAC
- methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate
Names & synonyms
methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate19796-60-2NSC78775DTXSID302918634-Pyrimidinecarboxylicacid, 2,6-diamino-5-nitro-, methyl esterNSC-78775DS-005521CS-0045992
Database identifiers
- CAS
19796-60-2- PubChem CID
- 254409
- DTXSID
DTXSID30291863
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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