5-(4-Chlorophenyl)-4-pyrimidinamine

C10H8ClN3CAS 35202-25-6205.64 g/mol

Open in Covalent MOL file
NHNHNCl
Aryl halide

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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2-Chloro-5-(4-chlorophenyl)pyrimidine27956-40-740 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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