Basic information
- CAS
100047-44-7- Standard SMILES
C1=NCc2ncncc2N1- InChIKey
HFBHECKUQKDKGI-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924621
Names & identifiers
- Preferred name
- 1,4-Dihydropyrimido[5,4-d]pyrimidine
- IUPAC
- 5,8-dihydropyrimido[5,4-d]pyrimidine
- English name
- Pyrimido[5,4-d]pyrimidine, 3,4-dihydro- (6CI)
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
100047-44-71,4-Dihydropyrimido[5,4-d]pyrimidine1,4-Dihydropyrimido(5,4-d)pyrimidineRefChem:2205653,4-Dihydropyrimido[5,4-d]pyrimidine4h-pyrimidopyrimidineSCHEMBL26619033DTXSID701290712Pyrimido[5,4-d]pyrimidine, 1,4-dihydro-Pyrimido[5,4-d]pyrimidine, 3,4-dihydro- (6CI)
Database identifiers
- CAS
100047-44-7- PubChem CID
- 71434366
- DTXSID
DTXSID701290712
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 150 °C · 150 °C (decomp)
- Boiling point
- 291 · 291.0±50.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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