Basic information
- CAS
1010-90-8- Standard SMILES
CCCCn1c(=O)cc(C)[nH]c1=O- InChIKey
QRGVGZWQHXGOFJ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- Uracil, 3-butyl-6-methyl-
- IUPAC
- 3-butyl-6-methyl-1H-pyrimidine-2,4-dione
- English name
- 3-Butyl-6-methyl-2,4(1H,3H)-pyrimidinedione
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
1010-90-83-Butyl-6-methyluracilUracil, 3-butyl-6-methyl-DTXSID20143625RefChem:386991DTXCID50661163-butyl-6-methyl-1H-pyrimidine-2,4-dione3-butyl-6-methylpyrimidine-2,4(1h,3h)-dione3-Butyl-6-methyl-2,4(1H,3H)-pyrimidinedione3-n-butyl-6-methyluracil2,4(1H,3H)-Pyrimidinedione,3-butyl-6-methyl-2,4(1H,3H)-Pyrimidinedione, 3-butyl-6-methyl-
Show more names
SCHEMBL1702032QRGVGZWQHXGOFJ-UHFFFAOYSA-N
Database identifiers
- CAS
1010-90-8- PubChem CID
- 70528
- DTXSID
DTXSID20143625- Nikkaji
- J7.219B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 179 · 179-180 °C
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 10.01 · 10.01±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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