2-amino-6-(propan-2-yl)pyrimidin-4-ol

• ChemBase ID: 37135
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(nc(cc1O)C(C)C)N
• Canonical SMILES: Oc1cc(nc(n1)N)C(C)C
• InChI: InChI=1S/C7H11N3O/c1-4(2)5-3-6(11)10-7(8)9-5/h3-4H,1-2H3,(H3,8,9,10,11)
• InChIKey: MNIKKPHWWBUBCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-(propan-2-yl)pyrimidin-4-ol
• IUPAC Traditional name: 2-amino-6-isopropylpyrimidin-4-ol
• Synonyms: 2-Amino-6-isopropyl-4-pyrimidinol; 2-Amino-6-isopropylpyrimidin-4-ol

Database IDs

• CAS Number: 73576-32-6
• MDL Number: MFCD02091393
• PubChem SID: 161000442
• PubChem CID: 12655205

CALCULATED PROPERTIES

• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 12.428837
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5650458
• LogD (pH = 7.4): 1.5653718
• Log P: 1.56538
• Molar Refractivity: 43.456 cm^3
• Polarizability: 15.749872 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%