4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile

C11H8N4OCAS 189956-45-4212.21 g/mol

Open in Covalent MOL file
NNHNHON
NitrilePhenolSecondary amine

Properties

Molecular formula
C11H8N4O
Molar mass
212.21 g/mol
Exact mass
212.0698 Da
logP
1.80Crippen estimate
Polar surface area
81.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
189956-45-4
SMILES
N#Cc1ccc(Nc2nccc(O)n2)cc1
InChIKey
BBNOJNASJQRRSH-UHFFFAOYSA-N
InChI
InChI=1S/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)

Weigh it out

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Names and synonyms

4 names
  • Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]-
  • 4-[(1,4-Dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile
  • 4-[(6-Oxo-1,6-dihydropyrimidin-2-yl)amino]benzonitrile
  • 4-((4-Hydroxypyrimidin-2-yl)amino)benzonitrile

Work with 4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile

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

4-((4-Chloropyrimidin-2-yl)amino)benzonitrile244768-32-965 % similar Dapivirine244767-67-752 % similar 4-Hydrazinobenzonitrile monohydrochloride2863-98-140 % similar N-Phenyl-2-pyrimidinamine57356-49-739 % similar 4-Cyanophenol767-00-038 % similar 2,4-Pyridinedicarbonitrile29181-50-838 % similar Uracil66-22-837 % similar 1,4-Dicyanobenzene623-26-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,5-Dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one21314-17-0

Elsewhere

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