Cas no 500161-14-8 (4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one)

4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one structure
500161-14-8 structure
Product Name:4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CAS No:500161-14-8
MF:C8H12N2O2
MW:168.193081855774
CID:933081
Update Time:2023-08-02

4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone,6-hydroxy-2-methyl-5-(1-methylethyl)-(9CI)
    • 6-Hydroxy-5-isopropyl-2-methylpyrimidin-4(1H)-one
    • 4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
    • Inchi: 1S/C8H12N2O2/c1-4(2)6-7(11)9-5(3)10-8(6)12/h4H,1-3H3,(H2,9,10,11,12)
    • InChI Key: SGLPFUQRUKYRHP-UHFFFAOYSA-N
    • SMILES: OC1=C(C(NC(C)=N1)=O)C(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 277
  • Topological Polar Surface Area: 61.7
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