Basic information
- CAS
21031-74-3- Standard SMILES
Cc1cn(C2CCCCC2)c(=O)[nH]c1=O- InChIKey
KMKDOEBFMRRNPY-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.12117776
Names & identifiers
- Preferred name
- 1-Cyclohexylthymine
- IUPAC
- 1-cyclohexyl-5-methylpyrimidine-2,4-dione
Names & synonyms
1-Cyclohexylthymine21031-74-3F71LY04J3WNSC-49061DTXSID901752362,4(1H,3H)-Pyrimidinedione, 1-cyclohexyl-5-methyl-RefChem:75506DTXCID7097727MLS0026672321-cyclohexyl-5-methylpyrimidine-2,4(1h,3h)-dioneUNII-F71LY04J3WTHYMINE, 1-CYCLOHEXYL-
Show more names
HMS3089M19NSC49061NSC 49061SMR0015570011-CYCLOHEXYL-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Database identifiers
- CAS
21031-74-3- PubChem CID
- 96032
- DTXSID
DTXSID90175236- UNII
- F71LY04J3W
- Nikkaji
- J1.274.850G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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