6-amino-1,3-dimethyl-5-[(2E)-3-phenylprop-2-enoyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 184130
• Molecular Formular: C15H15N3O3
• Molecular Mass: 285.2979
• Monoisotopic Mass: 285.11134136
• SMILES: n1(c(c(c(=O)n(c1=O)C)C(=O)/C=C/c1ccccc1)N)C
• Canonical SMILES: O=C(c1c(N)n(C)c(=O)n(c1=O)C)/C=C/c1ccccc1
• InChI: InChI=1S/C15H15N3O3/c1-17-13(16)12(14(20)18(2)15(17)21)11(19)9-8-10-6-4-3-5-7-10/h3-9H,16H2,1-2H3/b9-8+
• InChIKey: LLPZZUJHRJYPDI-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-1,3-dimethyl-5-[(2E)-3-phenylprop-2-enoyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-amino-1,3-dimethyl-5-[(2E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione

Database IDs

• PubChem SID: 164240040
• PubChem CID: 5358918

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3670821
• LogD (pH = 7.4): 1.3671614
• Log P: 1.3671623
• Molar Refractivity: 88.7403 cm^3
• Polarizability: 29.408129 Å^3
• Polar Surface Area: 83.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds