6-amino-1,3-diethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 43022
• Molecular Formular: C8H13N3O2
• Molecular Mass: 183.20772
• Monoisotopic Mass: 183.10077667
• SMILES: c1(=O)n(c(cc(=O)n1CC)N)CC
• Canonical SMILES: CCn1c(N)cc(=O)n(c1=O)CC
• InChI: InChI=1S/C8H13N3O2/c1-3-10-6(9)5-7(12)11(4-2)8(10)13/h5H,3-4,9H2,1-2H3
• InChIKey: WPEWOBMDJKQYJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-1,3-diethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-amino-1,3-diethylpyrimidine-2,4-dione
• Synonyms: 6-Amino-1,3-diethyl-2,4(1H,3H)-pyrimidinedione; 6-Amino-1,3-diethyluracil; 1,3-Diethyl-6-aminouracil; 6-Amino-1,3-diethyl-2,4(1H,3H)-pyrimidinedione

Database IDs

• CAS Number: 41740-15-2
• MDL Number: MFCD00086294
• PubChem SID: 162047785
• PubChem CID: 603026

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19726893
• LogD (pH = 7.4): -0.19554433
• Log P: -0.19552231
• Molar Refractivity: 58.1959 cm^3
• Polarizability: 18.106443 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMF; DMSO
• Apperance: White Solid
• Melting Point: 178-179°C

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%