Basic information
- CAS
35471-10-4- Standard SMILES
C=CC1(C)CCC2C(C)C(=O)N=C(N)N21- InChIKey
JICZMZVYTMAXGX-UHFFFAOYSA-N- Molecular formula
- C11H17N3O
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.13716217
Names & identifiers
- Preferred name
- 1-Amino-7-ethenyl-4,7-dimethyl-4,4a,5,6-tetrahydropyrrolo[1,2-c]pyrimidin-3-one
- IUPAC
- 1-amino-7-ethenyl-4,7-dimethyl-4,4a,5,6-tetrahydropyrrolo[1,2-c]pyrimidin-3-one
Database identifiers
- CAS
35471-10-4- PubChem CID
- 3530563
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
Melting Point208 - 210 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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