6,8-dimethyl-4-(methylamino)-5H,6H,7H,8H-pyridazino[3,4-d]pyrimidine-5,7-dione

• ChemBase ID: 185773
• Molecular Formular: C9H11N5O2
• Molecular Mass: 221.21594
• Monoisotopic Mass: 221.09127462
• SMILES: n1(c(=O)n(c2c(c1=O)c(cnn2)NC)C)C
• Canonical SMILES: CNc1cnnc2c1c(=O)n(C)c(=O)n2C
• InChI: InChI=1S/C9H11N5O2/c1-10-5-4-11-12-7-6(5)8(15)14(3)9(16)13(7)2/h4H,1-3H3,(H,10,12)
• InChIKey: CUIMTBZGUUOXOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethyl-4-(methylamino)-5H,6H,7H,8H-pyridazino[3,4-d]pyrimidine-5,7-dione
• IUPAC Traditional name: 6,8-dimethyl-4-(methylamino)pyridazino[3,4-d]pyrimidine-5,7-dione

Database IDs

• PubChem SID: 164241683
• PubChem CID: 6401694

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6457606
• LogD (pH = 7.4): -0.6455201
• Log P: -0.645517
• Molar Refractivity: 60.0024 cm^3
• Polarizability: 20.488201 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds