Cas no 2228-30-0 (4(1H)-Pyrimidinone,1-methyl-)

4(1H)-Pyrimidinone,1-methyl- structure
4(1H)-Pyrimidinone,1-methyl- structure
Product Name:4(1H)-Pyrimidinone,1-methyl-
CAS No:2228-30-0
MF:C5H6N2O
MW:110.11394071579
CID:281662
PubChem ID:292249
Update Time:2025-04-19

4(1H)-Pyrimidinone,1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone,1-methyl-
    • 1-methylpyrimidin-4-one
    • 1,4-Dihydro-1-methyl-4-oxo-pyrimidin
    • 1-Methyl-1H-pyrimidin-4-on
    • 1-methyl-1H-pyrimidin-4-one
    • 1-Methyl-4(1H)-pyrimidinone
    • 1-methyl-4-pyrimidone
    • 1-methylpyrimidin-4(1H)-one
    • AC1L6HLL
    • AC1Q696Z
    • AGN-PC-0CW4R7
    • methyl-4-pyrimidone
    • NSC157912
    • SureCN887516
    • SCHEMBL887516
    • DTXSID00303341
    • NWLPRJINWFMRHH-UHFFFAOYSA-
    • InChI=1/C5H6N2O/c1-7-3-2-5(8)6-4-7/h2-4H,1H3
    • NSC-157912
    • NWLPRJINWFMRHH-UHFFFAOYSA-N
    • 1-Methyl-4(1H)-pyrimidinone #
    • 2228-30-0
    • 4(1H)-Pyrimidinone, 1-methyl-
    • Inchi: 1S/C5H6N2O/c1-7-3-2-5(8)6-4-7/h2-4H,1H3
    • InChI Key: NWLPRJINWFMRHH-UHFFFAOYSA-N
    • SMILES: O=C1C=CN(C=N1)C

Computed Properties

  • Exact Mass: 110.04808
  • Monoisotopic Mass: 110.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 32.7?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 180.6°Cat760mmHg
  • Flash Point: 63°C
  • Refractive Index: 1.552
  • PSA: 32.67
  • LogP: -0.21970
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