dimethylpteridine-2,4-diamine

• ChemBase ID: 108890
• Molecular Formular: C8H10N6
• Molecular Mass: 190.2052
• Monoisotopic Mass: 190.09669435
• SMILES: Cc1nc2nc(N)nc(N)c2nc1C
• Canonical SMILES: Nc1nc(N)c2c(n1)nc(c(n2)C)C
• InChI: InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)
• InChIKey: NBGMCAGDMQPEBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethylpteridine-2,4-diamine
• IUPAC Traditional name: dimethylpteridine-2,4-diamine
• Synonyms: 2,4-DIAMINO-6,7-DIMETHYLPTERIDINE

Database IDs

• CAS Number: 1425-63-4
• EC Number: 215-844-7
• PubChem SID: 162088923
• PubChem CID: 74023

CALCULATED PROPERTIES

• Acid pKa: 15.880282
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.42138398
• LogD (pH = 7.4): -0.42129657
• Log P: -0.42129546
• Molar Refractivity: 54.5308 cm^3
• Polarizability: 19.417982 Å^3
• Polar Surface Area: 103.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds

DETAILS

MP Biomedicals - 05209114

MP Biomedicals Rare Chemical collection