Cas no 3346-57-4 (6-Amino-2-methyl-5-nitropyrimidin-4(1H)-one)

6-Amino-2-methyl-5-nitropyrimidin-4(1H)-one structure
3346-57-4 structure
Product Name:6-Amino-2-methyl-5-nitropyrimidin-4(1H)-one
CAS No:3346-57-4
MF:C5H6N4O3
MW:170.126140117645
CID:1031453
PubChem ID:135416773
Update Time:2025-04-20

6-Amino-2-methyl-5-nitropyrimidin-4(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 6-Amino-2-methyl-5-nitropyrimidin-4(1H)-one
    • 6-amino-2-methyl-5-nitro-1H-pyrimidin-4-one
    • 6-Amino-2-methyl-5-nitro-4(1H)-pyrimidinone
    • 6-amino-2-methyl-5-nitro-3H-pyrimidin-4-one
    • 6-Amino-2-methyl-5-nitro-pyrimidin-4-on
    • 6-Amino-2-methyl-5-nitro-4(3H)-pyrimidinone
    • 3346-57-4
    • DB-333348
    • DTXSID30400094
    • AKOS006276868
    • SB56216
    • 6-amino-5-(nitro)-2-methylpyrimidin-4(3H)-one
    • AB-323/25048262
    • SCHEMBL17585444
    • 6-aMino-2-Methyl-5-nitropyriMidin-4-ol
    • 4-amino-2-methyl-5-nitro-1H-pyrimidin-6-one
    • Inchi: 1S/C5H6N4O3/c1-2-7-4(6)3(9(11)12)5(10)8-2/h1H3,(H3,6,7,8,10)
    • InChI Key: LAULKXZSWRUXNC-UHFFFAOYSA-N
    • SMILES: O=C1C(=C(N)N=C(C)N1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 170.04400
  • Monoisotopic Mass: 170.04399007g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 311
  • 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: -0.6
  • Topological Polar Surface Area: 113?2

Experimental Properties

  • Density: 1.83±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 237.5±50.0 oC (760 Torr),
  • Flash Point: 97.4±30.1 oC,
  • Solubility: Dissolution (66 g/l) (25 o C),
  • PSA: 117.85000
  • LogP: 1.08540

6-Amino-2-methyl-5-nitropyrimidin-4(1H)-one Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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