chempirical

N4-Benzoylcytosine

C11H9N3O2CAS 26661-13-2215.21 g/mol

Open in Covalent MOL file
ONNHOHN
Phenol

Properties

Molecular formula
C11H9N3O2
Molar mass
215.21 g/mol
Exact mass
215.0695 Da
Melting point
above 350 °C
logP
0.86Crippen estimate
Polar surface area
78.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
26661-13-2
SMILES
O=C(N=c1ccnc(O)[nH]1)c1ccccc1
InChIKey
XBDUZBHKKUFFRH-UHFFFAOYSA-N
InChI
InChI=1S/C11H9N3O2/c15-10(8-4-2-1-3-5-8)13-9-6-7-12-11(16)14-9/h1-7H,(H2,12,13,14,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzamide, N-(2,3-dihydro-2-oxo-4-pyrimidinyl)-
  • Benzamide, N-(1,2-dihydro-2-oxo-4-pyrimidinyl)-
  • Cytosine, N-benzoyl-
  • N-(2,3-Dihydro-2-oxo-4-pyrimidinyl)benzamide
  • 2(1H)-Pyrimidinone, 4-(benzoylamino)-
  • N-Benzoylcytosine
  • 2-Hydroxy-4-benzamidopyrimidine
  • NSC 211617
  • 4-n-Benzoylcytosine

Work with N4-Benzoylcytosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cytosine71-30-738 % similar Benzoyl isocyanate4461-33-034 % similar Benzoyl isothiocyanate532-55-833 % similar Isonitrosoacetophenone532-54-733 % similar 2-Benzoylpyridine91-02-133 % similar 4-Benzoylpyridine14548-46-032 % similar 4-Hydroxybenzophenone1137-42-431 % similar 2-Benzimidazolinone615-16-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(2-Pyridylazo)resorcinol1141-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook