(4R,4as,5S,8ar)-1,3,4,5,6,8-hexamethyl-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione

• ChemBase ID: 184217
• Molecular Formular: C12H22N4O2
• Molecular Mass: 254.32868
• Monoisotopic Mass: 254.17427596
• SMILES: N1([C@H]2N(C(=O)N([C@H]([C@H]2[C@H](N(C1=O)C)C)C)C)C)C
• Canonical SMILES: C[C@@H]1[C@H]2[C@@H](N(C(=O)N1C)C)N(C)C(=O)N([C@H]2C)C
• InChI: InChI=1S/C12H22N4O2/c1-7-9-8(2)14(4)12(18)16(6)10(9)15(5)11(17)13(7)3/h7-10H,1-6H3/t7-,8+,9-,10+
• InChIKey: IPCWYXAIQSTRTG-YNFQOJQRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R,4as,5S,8ar)-1,3,4,5,6,8-hexamethyl-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione
• IUPAC Traditional name: (4R,4as,5S,8ar)-1,3,4,5,6,8-hexamethyl-tetrahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione

Database IDs

• PubChem SID: 164240127
• PubChem CID: 789454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.04265626
• LogD (pH = 7.4): -0.04265619
• Log P: -0.04265619
• Molar Refractivity: 67.6844 cm^3
• Polarizability: 26.11479 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds