N4-Benzoylcytosine

C₁₁H₉N₃O₂CAS 26661-13-2215.21 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed87.5% of notifiers
H315 Causes skin irritation89.6% of notifiers
H319 Causes serious eye irritation89.6% of notifiers
H332 Harmful if inhaled87.5% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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