2-Chloro-5-propylpyrimidine

C₇H₉ClN₂CAS 219555-98-3156.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉ClN₂
Molar mass: 156.61 g/mol
Exact mass: 156.0454 Da
logP: 2.08Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

219555-98-3

SMILES

CCCC1=CN=C(N=C1)Cl

InChIKey

WVPHBBSAPVBUGZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H9ClN2/c1-2-3-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3

Weigh it out

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

Work with 2-Chloro-5-propylpyrimidine

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

5-Butyl-2-chloropyrimidine847227-37-676 % similar 2-Chloro-5-ethylpyrimidine111196-81-760 % similar 4-Propylpyridine1122-81-244 % similar n-Propylbenzene103-65-142 % similar 2-Chloro-5-methylpyrimidine22536-61-442 % similar Tetrapropylenebenzene25265-78-541 % similar 2,5-Dichloropyrimidine22536-67-040 % similar Propylpyrazine18138-03-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzamidine hydrochloride1670-14-0 2-Chloro-5-methyl-1,4-benzenediamine5307-03-9 4-Chloro-5-methylbenzene-1,2-diamine63155-04-4

Elsewhere

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