Basic information
- CAS
73978-74-2- Standard SMILES
COc1nc(N)c([N+](=O)[O-])c(OC)n1- InChIKey
AEFIKWJHKJRACJ-UHFFFAOYSA-N- Molecular formula
- C6H8N4O4
- Average molar mass
- 200.15 g/mol
- Monoisotopic mass
- 200.05455474
Names & identifiers
- Preferred name
- 2,6-Dimethoxy-5-nitropyrimidin-4-amine
- IUPAC
- 2,6-dimethoxy-5-nitropyrimidin-4-amine
- English name
- 6-amino-2,4-dimethoxy-5-nitropyrimidine
- Molecular formula
- C6H8N4O4
- Molecular weight
- 200.15
Names & synonyms
2,6-dimethoxy-5-nitropyrimidin-4-amine73978-74-2DTXSID10286434RefChem:248427DTXCID702375834-amino-2,6-dimethoxy-5-nitropyrimidineNSC457704-Pyrimidinamine, 2, 6-dimethoxy-5-nitro-SCHEMBL10414626AEFIKWJHKJRACJ-UHFFFAOYSA-NNSC-45770AKOS002303143
Show more names
6-amino-2,4-dimethoxy-5-nitropyrimidine4-Pyrimidinamine, 2,6-dimethoxy-5-nitro-
2,6-Dimethoxy-5-nitro-4-pyrimidinamine2,6-dimethoxy-5-nitropyrimidine-4-ylamineDS-015418ST50769541
Database identifiers
- CAS
73978-74-2- PubChem CID
- 239953
- DTXSID
DTXSID10286434- Nikkaji
- J1.031.656A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 179 °C · 179 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 445.9 · 445.9±55.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- pka
- 1.01 · 1.01±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
4 records
Compound notes
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