5-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
77139-90-3- Standard SMILES
CCCCCn1cc(C)c(=O)[nH]c1=O- InChIKey
GTQUTMNRQOJYQR-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.12117776
Names & identifiers
- Preferred name
- 5-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 5-methyl-1-pentylpyrimidine-2,4-dione
Names & synonyms
77139-90-3DTXSID906021785-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dioneRefChem:303955DTXCID205529351-(5-pentyl)thymineSCHEMBL13261412
Database identifiers
- CAS
77139-90-3- PubChem CID
- 20076510
- DTXSID
DTXSID90602178- Nikkaji
- J1.246.119D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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