(4aS,8aS)-1,4,5,6-tetramethyl-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione

• ChemBase ID: 186111
• Molecular Formular: C10H18N4O2
• Molecular Mass: 226.27552
• Monoisotopic Mass: 226.14297584
• SMILES: [C@H]12NC(=O)N(C([C@@H]2C(NC(=O)N1C)C)C)C
• Canonical SMILES: CC1NC(=O)N([C@H]2[C@@H]1C(C)N(C(=O)N2)C)C
• InChI: InChI=1S/C10H18N4O2/c1-5-7-6(2)13(3)10(16)12-8(7)14(4)9(15)11-5/h5-8H,1-4H3,(H,11,15)(H,12,16)/t5?,6?,7-,8-/m0/s1
• InChIKey: FGSNPKZCESFAGK-GHNGIAPOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4aS,8aS)-1,4,5,6-tetramethyl-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione
• IUPAC Traditional name: (4aS,8aS)-1,4,5,6-tetramethyl-hexahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione

Database IDs

• PubChem SID: 164242021
• PubChem CID: 16396474

CALCULATED PROPERTIES

• Acid pKa: 13.372947
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.51382995
• LogD (pH = 7.4): -0.51383036
• Log P: -0.51382995
• Molar Refractivity: 57.891 cm^3
• Polarizability: 22.45815 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds