5-(4-Chlorophenyl)-4-pyrimidinamine

C₁₀H₈ClN₃CAS 35202-25-6205.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈ClN₃
Molar mass: 205.64 g/mol
Exact mass: 205.0407 Da
Melting point: 203–204 °C
logP: 2.21Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

35202-25-6

SMILES

N=c1[nH]cncc1-c1ccc(Cl)cc1

InChIKey

KGDRSRGXGBIWDQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14)

Weigh it out

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

Names and synonyms

3 names

4-Pyrimidinamine, 5-(4-chlorophenyl)-
Pyrimidine, 4-amino-5-(p-chlorophenyl)-
4-Amino-5-(p-chlorophenyl)pyrimidine

Work with 5-(4-Chlorophenyl)-4-pyrimidinamine

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

4,5-Diaminopyrimidine13754-19-342 % similar 4-Amino-5-bromopyrimidine1439-10-742 % similar 4,4′-Dichlorobiphenyl2050-68-237 % similar 5-Chloro-1H-imidazole15965-31-835 % similar Pcb 3116606-02-335 % similar 2-Bromo-4′-chloro-1,1′-biphenyl179526-95-534 % similar 5-Chloro-2-pyrimidinamine5428-89-734 % similar 4′-Chloro[1,1′-biphenyl]-2-amine1204-44-033 % similar

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

Elsewhere

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