5-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 155235
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: CCCc1c[nH]c(=O)[nH]c1=O
• Canonical SMILES: CCCc1c[nH]c(=O)[nH]c1=O
• InChI: InChI=1S/C7H10N2O2/c1-2-3-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11)
• InChIKey: JHEKLAXXCHLMNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 5-propyl-1,3-dihydropyrimidine-2,4-dione
• Synonyms: 5-n-Propyluracil; 5-N-Propyluracil

Database IDs

• CAS Number: 19030-75-2
• MDL Number: MFCD00083479
• PubChem SID: 162249373; 24898944
• PubChem CID: 73269

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 10.015299
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.42938372
• LogD (pH = 7.4): 0.42835698
• Log P: 0.4293968
• Molar Refractivity: 39.5284 cm^3
• Polarizability: 15.120548 Å^3
• Polar Surface Area: 58.2 Å^2

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%
• Empirical Formula (Hill Notation): C7H10N2O2

DETAILS

Sigma Aldrich - P8419

Application
5-n-Propyluracil is used as a reagent for the synthesis of anti-HIV drugs of the 5-propyluracil class.