chempirical

2-Chloro-4-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]pyrimidine

C10H10ClIN4CAS 1269440-58-5348.57 g/mol

Open in Covalent MOL file
NNClNIN
Aryl halide

Properties

Molecular formula
C10H10ClIN4
Molar mass
348.57 g/mol
Exact mass
347.9639 Da
logP
3.18Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1269440-58-5
SMILES
CC(C)n1cc(-c2ccnc(Cl)n2)c(I)n1
InChIKey
NVQXUVPDZGMTOH-UHFFFAOYSA-N
InChI
InChI=1S/C10H10ClIN4/c1-6(2)16-5-7(9(12)15-16)8-3-4-13-10(11)14-8/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Pyrimidine, 2-chloro-4-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]-
  • 2-Chloro-4-[3-iodo-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidine
  • 2-Chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine
  • 2-Chloro-4-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)pyrimidine

Work with 2-Chloro-4-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]pyrimidine

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

3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole1032452-86-041 % similar 2-Chloro-4-methylpyrimidine13036-57-233 % similar 2,4-Dichloropyrimidine3934-20-131 % similar 2-Chloro-4-methoxypyrimidine22536-63-630 % similar

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

Elsewhere

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