Cas no 3005-72-9 (2-acetylamino-5-nitro-3h-pyrimidin-4-one)

2-acetylamino-5-nitro-3h-pyrimidin-4-one structure
3005-72-9 structure
Product Name:2-acetylamino-5-nitro-3h-pyrimidin-4-one
CAS No:3005-72-9
MF:C6H6N4O4
MW:198.13624048233
CID:1440829
PubChem ID:251776
Update Time:2025-04-20

2-acetylamino-5-nitro-3h-pyrimidin-4-one Chemical and Physical Properties

Names and Identifiers

    • 2-acetylamino-5-nitro-3h-pyrimidin-4-one
    • Acetamide,N-[5-(diethylamino)-2-[2-(2,4-dinitrophenyl)diazenyl]phenyl]-
    • Acetamide,N-[5-(diethylamino)-2-[(2,4-dinitrophenyl)azo]phenyl]- (9CI)
    • AC1MI0QE
    • CTK4F2932
    • Acetanilide, 5'-(diethylamino)-2'-[(2,4-dinitrophenyl)azo]-(8CI)
    • 2-acetylamino-5-(2,2-diethoxy-ethylamino)-3H-pyrimidin-4-one
    • 2-acetamido-4-diethylamino-2,4'-dinitroazobenzene
    • AG-E-71172
    • 2-Acetamido-4-hydroxy-5-nitro-pyrimidin
    • N-{5-(diethylamino)-2-[(2,4-dinitrophenyl)azo]phenyl}acetamide
    • 3-acetylamino-4-(2',4'-dinitrophenylazo)-N,N-diethylaniline
    • 2'-acetamido-4'-diethylamino-2,4-dinitroazobenzene
    • N-(5-(Diethylamino)-2-((2,4-dinitrophenyl)azo)phenyl)acetamide
    • EINECS 246-022-6
    • 2-Acetamido-4-hydroxy-5-&lt
    • 2,2-diaethoxy-aethylamino&gt
    • -pyrimidin
    • 2-Acetamido-4-hydroxy-5-<2,2-diaethoxy-aethylamino>-pyrimidin;2-acetamido-4-diethylamino-2,4'-dinitroazobenzene;2-Acetamido-4-hydroxy-5-nitro-pyrimidin;
    • DTXSID90952443
    • N-(4-Hydroxy-5-nitropyrimidin-2-yl)ethanimidic acid
    • 3005-72-9
    • NSC72552
    • NSC-72552
    • Inchi: 1S/C6H6N4O4/c1-3(11)8-6-7-2-4(10(13)14)5(12)9-6/h2H,1H3,(H2,7,8,9,11,12)
    • InChI Key: JWDSPAQZMTYXLF-UHFFFAOYSA-N
    • SMILES: O=C1C(=CN=C(NC(C)=O)N1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 198.03900
  • Monoisotopic Mass: 198.03890469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 365
  • 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: -1.1
  • Topological Polar Surface Area: 116?2

Experimental Properties

  • PSA: 120.67000
  • LogP: 0.23270

2-acetylamino-5-nitro-3h-pyrimidin-4-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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