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

C₁₁H₈N₄OCAS 189956-45-4212.21 g/mol

Open in Covalent MOL file

Nitrile Phenol Secondary 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 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

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

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

Names and synonyms

3 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

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-Chloro-2-pyrimidinyl)amino]benzonitrile244768-32-965 % 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 4-Cyanopyridine100-48-135 % 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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