Cas no 130170-00-2 (2(1H)-Pyrimidinone,3,4-dihydro-4-imino-5-methyl-, (E)- (9CI))

2(1H)-Pyrimidinone,3,4-dihydro-4-imino-5-methyl-, (E)- (9CI) structure
130170-00-2 structure
Product Name:2(1H)-Pyrimidinone,3,4-dihydro-4-imino-5-methyl-, (E)- (9CI)
CAS No:130170-00-2
MF:C5H7N3O
MW:125.128580331802
CID:102749
PubChem ID:65040
Update Time:2025-04-18

2(1H)-Pyrimidinone,3,4-dihydro-4-imino-5-methyl-, (E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Pyrimidinone,3,4-dihydro-4-imino-5-methyl-, (E)- (9CI)
    • Cytosine, 5-methyl- (VAN)
    • Cytosine, 5-methyl-
    • MFCD00233537
    • FT-0600532
    • 130170-01-3
    • s6021
    • CS-W008091
    • HY-W008091
    • 2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-5-methyl-, (E)- (9CI)
    • NSC 137776
    • 2-Pyrimidinol, 4-amino-5-methyl- (9CI)
    • AM81335
    • EN300-103021
    • A830624
    • 5-methyl-Cytosine
    • 4-amino-5-methyl-2-(1H)-Pyrimidinone
    • AS-17837
    • 4-amino-5-methylpyrimidin-2(1H)-one
    • 130170-00-2
    • C02376
    • 2(1H)-Pyrimidinone, 4-amino-5-methyl-
    • EINECS 209-058-3
    • PD123960
    • NS00014760
    • 1-[(AMMONIOOXY)METHYL]-2-NITROBENZENECHLORIDE
    • 4-Amino-5-methyl-2-pyrimidinol
    • Z1741980467
    • 5-Methylcytosine (VAN)
    • CHEBI:27551
    • 503CC90D-7575-429C-85CB-AA8AB0E84A3A
    • 5-methyl cytosine
    • 5-METHYLCYTOSINE [MI]
    • Q-101641
    • SY046975
    • cytosine-5-carbon
    • 6-amino-5-methyl-1,2-dihydropyrimidin-2-one
    • 6-amino-5-methyl-3-hydropyrimidin-2-one
    • NSC-137776
    • SB55524
    • 4-amino-5-methyl-2(1H)-pyrimidinone
    • SCHEMBL14539996
    • 4-amino-5-methyl-1,2-dihydropyrimidin-2-one
    • DTXSID50203948
    • METHYLCYTOSINE, 5-
    • 5-Methylcytosine (~90%)
    • SCHEMBL22008
    • UNII-6R795CQT4H
    • 4-Amino-5-methyl-2-pyrimidinol #
    • NSC137776
    • 2'-C-MeCyt
    • 5-Methylcytosine
    • 6-amino-5-methyl-1H-pyrimidin-2-one hydrochloride
    • AKOS006222273
    • 6R795CQT4H
    • 5-Methylcytosine>96
    • 4-amino-5-methyl-1H-pyrimidin-2-one
    • 6-amino-5-methyl-1H-pyrimidin-2-one
    • Q238563
    • 554-01-8
    • Inchi： 1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
    • InChI Key： LRSASMSXMSNRBT-UHFFFAOYSA-N
    • SMILES： O=C1N=CC(C)=C(N)N1

Computed Properties

  • Exact Mass: 125.05901
  • Monoisotopic Mass: 125.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 204
  • 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
  • Topological Polar Surface Area: 67.5A^2
  • XLogP3: -0.8

Experimental Properties

  • Color/Form: crystallization
  • Density: 1.44
  • Melting Point: >270°C (>518°F)
  • Boiling Point: 417.3 °C at 760 mmHg
  • Flash Point: 206.2 °C
  • PSA: 67.48
  • LogP: 0.24170

2(1H)-Pyrimidinone,3,4-dihydro-4-imino-5-methyl-, (E)- (9CI) Related Literature

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