Cytosine, 5-bromo-1-(tetrahydropyran-2-yl)-
Basic information
- CAS
5580-94-9- Standard SMILES
Nc1nc(=O)n(C2CCCCO2)cc1Br- InChIKey
VPNCDRSZEJJPSI-UHFFFAOYSA-N- Molecular formula
- C9H12BrN3O2
- Average molar mass
- 274.11 g/mol
- Monoisotopic mass
- 273.01129
Names & identifiers
- Preferred name
- Cytosine, 5-bromo-1-(tetrahydropyran-2-yl)-
- IUPAC
- 4-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-one
- English name
- 4-Amino-5-bromo-1-(tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one
- Molecular formula
- C9H12BrN3O2
- Molecular weight
- 274.11
Names & synonyms
5580-94-9CYTOSINE, 5-BROMO-1-(TETRAHYDROPYRAN-2-YL)-RefChem:10828305-Bromo-1-(tetrahydropyran-2-yl)cytosine4-Amino-5-bromo-1-(tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-oneCytosine, 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-MLS002703416NSC 978394-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-oneBRN 1577609NSC97839NCIOpen2_006695
Show more names
5-Bromo-1-(tetrahydro-2H-pyran-2-yl)cytosine2(1H)-Pyrimidinone, 4-amino-5-bromo-1-(tetrahydro-2H-pyran-2-yl)-
5-25-14-00444 (Beilstein Handbook Reference)CHEMBL1870009DTXSID301381492NSC-97839SMR001570135
Database identifiers
- CAS
5580-94-9- PubChem CID
- 21758
- DTXSID
DTXSID301381492- ChEMBL
CHEMBL1870009- Nikkaji
- J15.118A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 340
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Compound notes
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