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

Properties

Molecular formula: C₁₀H₁₀ClIN₄
Molar mass: 348.57 g/mol
Exact mass: 347.9639 Da
logP: 3.18Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H303 May be harmful if swallowed66.7% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H401 Toxic to aquatic life66.7% of notifiers
H411 Toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P301+P317, P302+P352, P321, P333+P317, P362+P364, P391, P501

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

5 names

2-Chloro-4-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]pyrimidine
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 2-Chloro-4-methylsulfanyl-pyrimidine49844-93-130 % similar 4-(1-Isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-amine602306-61-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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