Cas no 176773-00-5 (4-Pyrimidinol,1,2-dihydro-2-imino-, (Z)- (9CI))

4-Pyrimidinol,1,2-dihydro-2-imino-, (Z)- (9CI) structure
176773-00-5 structure
Product Name:4-Pyrimidinol,1,2-dihydro-2-imino-, (Z)- (9CI)
CAS No:176773-00-5
MF:C4H5N3O
MW:111.101999998093
CID:112455
PubChem ID:66950
Update Time:2025-04-18

4-Pyrimidinol,1,2-dihydro-2-imino-, (Z)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 4-Pyrimidinol,1,2-dihydro-2-imino-, (Z)- (9CI)
    • 4-Pyrimidinol, 1,2-dihydro-2-imino-, (Z)- (9CI)
    • 145358-63-0
    • 155831-92-8
    • 2-Amino-4-hydroxypyrimidine
    • 2-Imino-6-pyrimidinon
    • 4-Pyrimidinol, 2-amino- (9CI)
    • AI3-52238
    • SB57721
    • InChI=1/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8
    • 4-Pyrimidinol, 2,3-dihydro-2-imino- (9CI)
    • CS-W002272
    • DTXSID00148350
    • 107646-85-5
    • 4(3H)-Pyrimidinone, 2-amino-
    • 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino-, (E)- (9CI)
    • CHEBI:55502
    • 4(1H)-Pyrimidinone, 2-amino-
    • Isocytosine (VAN)
    • W-200787
    • 176773-00-5
    • SB10360
    • MFCD00057557
    • 2-AMINO-3,4-DIHYDROPYRIMIDIN-4-ONE
    • 674-97-5
    • 2-Amino-4(1H)-pyrimidinone
    • 2-aminopyrimidin-4-ol
    • 4-Pyrimidinol, 1,2-dihydro-2-imino- (9CI)
    • 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino-, (Z)- (9CI)
    • SCHEMBL8852643
    • 4-Pyrimidinol, 2,3-dihydro-2-imino-, (Z)- (9CI)
    • DS-0256
    • 4(1H)-Pyrimidinone,2,3-dihydro-2-imino-,(E)-(9ci)
    • AM20080033
    • Epitope ID:119698
    • NS00015768
    • EN300-64686
    • Q10859790
    • 2-Amino-4-pyrimdinol
    • NSC49118
    • AC-907/25004299
    • AKOS016034248
    • 107646-87-7
    • SCHEMBL4825
    • 4-pyrimidinol,2-amino-
    • AKOS010519665
    • CS-0166939
    • SY013450
    • 2-Amino-3H-pyrimidin-4-one
    • PB29007
    • 176773-02-7
    • 2-amino-1H-pyrimidin-4-one
    • 2-aminopyrimidin-4(3H)-one
    • 2-Amino-4-hydroxypyrimidine, 2-Aminouracil
    • Isocytosine
    • 1,4-dihydro-2-amino-4-oxopyrimidine
    • I0814
    • Iso Cytosine
    • FT-0693428
    • HY-W002272
    • s6256
    • MFCD00023256
    • 155831-94-0
    • H10127
    • 4-Pyrimidinol, 2,3-dihydro-2-imino-, (E)- (9CI)
    • isocytosin
    • 2-Amino-4(1H)-pyrimidinone #
    • 4-Pyrimidinol, 2-amino-
    • 2-Amino-4-pyrimidol
    • CHEMBL56260
    • 2-amino-4-pyrimidinol
    • 176773-01-6
    • BDBM50405230
    • 2-Aminouracil
    • AKOS015854926
    • 155831-93-9
    • 100643-25-2
    • 2-amino-6-hydroxypyrimidine
    • EINECS 203-592-0
    • 2-aminopyrimidin-4(1H)-one
    • Z801295650
    • 2-Amino-4-oxypyrimidine
    • Isocytosine, >=99%
    • 2-Amino-4-pyrimidone
    • 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino- (9CI)
    • NSC-49118
    • FT-0602441
    • 2-amino-1H-pyrimidin-6-one
    • NSC 49118
    • 108-53-2
    • 2-amino-1,4-dihydropyrimidin-4-one
    • Inchi： 1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
    • InChI Key： XQCZBXHVTFVIFE-UHFFFAOYSA-N
    • SMILES： O=C1C=CN=C(N)N1

Computed Properties

  • Exact Mass: 111.04335
  • Monoisotopic Mass: 111.043261792g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 170
  • 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
  • Topological Polar Surface Area: 67.5?2

Experimental Properties

  • PSA: 68.47

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