Basic information
- CAS
18620-82-1- Standard SMILES
NC(=O)c1cc(N)nc(N)n1- InChIKey
AUPGCSRHUPOJDP-UHFFFAOYSA-N- Molecular formula
- C5H7N5O
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.06505986
Names & identifiers
- Preferred name
- 2,6-Diaminopyrimidine-4-carboxamide
- IUPAC
- 2,6-diaminopyrimidine-4-carboxamide
- English name
- 2,6-diaminopyrimidine-4-carboxamide
- Molecular formula
- C5H7N5O
- Molecular weight
- 153.14
Names & synonyms
2,6-diaminopyrimidine-4-carboxamide18620-82-1DTXSID70286814RefChem:248153DTXCID70237962NSC47802NSC-47802pyrimidine, 2,4-diamino-6-carbamoyl-4-Pyrimidinecarboxamide, 2,6-diamino-
Database identifiers
- CAS
18620-82-1- PubChem CID
- 240909
- DTXSID
DTXSID70286814- Nikkaji
- J2.454.201G
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 284 °C · 284 °C (decomp)(Solv: water (7732-18-5))
- Boiling point
- 551.6 · 551.6±60.0 °C(Predicted)
- Density
- 1.544 · 1.544±0.06 g/cm3(Predicted)
- pka
- 14.55 · 14.55±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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