5-hydrazinyl-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

• ChemBase ID: 114912
• Molecular Formular: C9H11N5O2
• Molecular Mass: 221.21594
• Monoisotopic Mass: 221.09127462
• SMILES: n1(c(=O)n(c2c(c1=O)c(NN)ccn2)C)C
• Canonical SMILES: NNc1ccnc2c1c(=O)n(C)c(=O)n2C
• InChI: InChI=1S/C9H11N5O2/c1-13-7-6(5(12-10)3-4-11-7)8(15)14(2)9(13)16/h3-4H,10H2,1-2H3,(H,11,12)
• InChIKey: OAWXPKMODSSVSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinyl-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
• IUPAC Traditional name: 5-hydrazinyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
• Synonyms: 5-hydrazino-1,3-dimethylpyrido[2,3-{d}]pyrimidine-2,4(1{H},3{H})-dione

Database IDs

• MDL Number: MFCD16652789
• PubChem SID: 162099786
• PubChem CID: 14304688

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.19299161
• LogD (pH = 7.4): 0.25230762
• Log P: 0.2531174
• Molar Refractivity: 59.652 cm^3
• Polarizability: 20.919996 Å^3
• Polar Surface Area: 91.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.805

Product Information

• Purity: 95+%