5-Butyl-2-chloropyrimidine

C₈H₁₁ClN₂CAS 847227-37-6170.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁ClN₂
Molar mass: 170.64 g/mol
Exact mass: 170.0611 Da
logP: 2.47Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

847227-37-6

SMILES

CCCCC1=CN=C(N=C1)Cl

InChIKey

KLYDXQQVCFDVLW-UHFFFAOYSA-N

InChI

InChI=1S/C8H11ClN2/c1-2-3-4-7-5-10-8(9)11-6-7/h5-6H,2-4H2,1H3

Weigh it out

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Work with 5-Butyl-2-chloropyrimidine

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

2-Chloro-5-propylpyrimidine219555-98-376 % similar 2-Chloro-5-ethylpyrimidine111196-81-756 % similar 1-Butyl-4-chlorobenzene15499-27-152 % similar n-Butylbenzene104-51-848 % similar 3-Butylpyridine539-32-245 % similar Fusaric acid536-69-644 % similar 2-Butylpyridine5058-19-542 % similar 4-Butylaniline104-13-242 % similar

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

Same formula

5,6,7,8-Tetrahydro-1,7-naphthyridine hydrochloride1338707-67-7 3-Methylbenzene-1-carboximidamide hydrochloride20680-59-5 4-Chloro-N1-ethyl-1,2-benzenediamine62476-15-7 4-Methylbenzamidine hydrochloride6326-27-8

Elsewhere

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