6-amino-2-cyclopropylpyrimidin-4-ol

• ChemBase ID: 54893
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: c1(nc(cc(n1)O)N)C1CC1
• Canonical SMILES: Nc1cc(O)nc(n1)C1CC1
• InChI: InChI=1S/C7H9N3O/c8-5-3-6(11)10-7(9-5)4-1-2-4/h3-4H,1-2H2,(H3,8,9,10,11)
• InChIKey: XTZHLWBCKCRMEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-cyclopropylpyrimidin-4-ol
• IUPAC Traditional name: 6-amino-2-cyclopropylpyrimidin-4-ol
• Synonyms: 6-Amino-2-cyclopropylpyrimidin-4-ol

Database IDs

• MDL Number: MFCD16988316
• PubChem SID: 162059656
• PubChem CID: 29078875

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 1.4622473
• LogD (pH = 7.4): 1.4625024
• Log P: 1.4625065
• Molar Refractivity: 42.0542 cm^3
• Polarizability: 15.032357 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 13.055369
• H Acceptors: 4

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >96%