4-Pyrimidinamine, N-cyclopropyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Basic information
- CAS
1350754-21-0- Standard SMILES
CC1(C)OB(c2cnc(N3CCc4ccccc4C3)nc2NC2CC2)OC1(C)C- InChIKey
MMZPTOGRSOJCPR-UHFFFAOYSA-N- Molecular formula
- C22H29BN4O2
- Average molar mass
- 392.3 g/mol
- Monoisotopic mass
- 392.2383563
Names & identifiers
- Preferred name
- 4-Pyrimidinamine, N-cyclopropyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- IUPAC
- N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-amine
Names & synonyms
DTXSID4011063701350754-21-04-Pyrimidinamine, N-cyclopropyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1350754-21-0- PubChem CID
- 165367207
- DTXSID
DTXSID401106370
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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