2-(Pentyloxy)pyrimidin-4-amine
Basic information
- CAS
60722-65-8- Standard SMILES
CCCCCOc1nccc(N)n1- InChIKey
CUZYMXJCGASULJ-UHFFFAOYSA-N- Molecular formula
- C9H15N3O
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.12151211
Names & identifiers
- Preferred name
- 2-(Pentyloxy)pyrimidin-4-amine
- IUPAC
- 2-pentoxypyrimidin-4-amine
Names & synonyms
60722-65-8NSC2103232-(PENTYLOXY)PYRIMIDIN-4-AMINECHEMBL3273648DTXSID003088764-Pyrimidinamine,2-(pentyloxy)-NSC-210323DS-015422
Database identifiers
- CAS
60722-65-8- PubChem CID
- 308511
- DTXSID
DTXSID00308876- ChEMBL
CHEMBL3273648
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 132
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Compound notes
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