4-methyl-5H,6H-furo[2,3-d]pyrimidin-2-amine

• ChemBase ID: 308687
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: n1c2c(c(nc1N)C)CCO2
• Canonical SMILES: Nc1nc(C)c2c(n1)OCC2
• InChI: InChI=1S/C7H9N3O/c1-4-5-2-3-11-6(5)10-7(8)9-4/h2-3H2,1H3,(H2,8,9,10)
• InChIKey: UBDYETITXMKBCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-5H,6H-furo[2,3-d]pyrimidin-2-amine
• IUPAC Traditional name: 4-methyl-5H,6H-furo[2,3-d]pyrimidin-2-amine
• Synonyms: 4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-amine

Database IDs

• CAS Number: 21585-10-4
• MDL Number: MFCD00223567

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2696088
• LogD (pH = 7.4): 0.5036343
• Log P: 0.5076405
• Molar Refractivity: 42.0465 cm^3
• Polarizability: 15.030008 Å^3
• Polar Surface Area: 61.03 Å^2