1,3,4,6,8-pentamethyl-5-[(E)-2-phenylethenyl]-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione

• ChemBase ID: 182685
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: N1(C2N(C(=O)N(C(C2C(N(C1=O)C)/C=C/c1ccccc1)C)C)C)C
• Canonical SMILES: CC1N(C)C(=O)N(C2C1C(/C=C/c1ccccc1)N(C)C(=O)N2C)C
• InChI: InChI=1S/C19H26N4O2/c1-13-16-15(12-11-14-9-7-6-8-10-14)21(3)19(25)23(5)17(16)22(4)18(24)20(13)2/h6-13,15-17H,1-5H3/b12-11+
• InChIKey: UNJZVKFTIFAQTA-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,4,6,8-pentamethyl-5-[(E)-2-phenylethenyl]-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione
• IUPAC Traditional name: 1,3,4,6,8-pentamethyl-5-[(E)-2-phenylethenyl]-tetrahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione

Database IDs

• PubChem SID: 164238595
• PubChem CID: 5909031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0408406
• LogD (pH = 7.4): 2.0408406
• Log P: 2.0408406
• Molar Refractivity: 97.867 cm^3
• Polarizability: 37.333862 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds