Basic information
- CAS
1242240-99-8- Standard SMILES
Clc1cc(NC23CC4CC(CC(C4)C2)C3)ncn1- InChIKey
LPSXOVAWXMPQAL-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3
- Average molar mass
- 263.76 g/mol
- Monoisotopic mass
- 263.1189253
Names & identifiers
- Preferred name
- 6-chloro-N-(1-Adamantyl)pyrimidin-4-amine
- IUPAC
- N-(1-adamantyl)-6-chloropyrimidin-4-amine
Names & synonyms
6-chloro-N-(1-Adamantyl)pyrimidin-4-amine1242240-99-8N-(ADAMANTAN-1-YL)-6-CHLOROPYRIMIDIN-4-AMINESCHEMBL2176129LPSXOVAWXMPQAL-UHFFFAOYSA-NDTXSID401201948MFCD13493322AKOS010530366BP-20033N-adamant-1-yl-6-chloropyrimidin-4-amineN-(1-adamantyl)-6-chloro-pyrimidin-4-amine6-Chloro-N-tricyclo[3.3.1.13,7]dec-1-yl-4-pyrimidinamine
Database identifiers
- CAS
1242240-99-8- PubChem CID
- 53486071
- DTXSID
DTXSID401201948
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
2 records
Compound notes
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