chempirical

4,6-Dichloro-5-methylpyrimidine

C5H4Cl2N2CAS 4316-97-6163.00 g/mol

Open in Covalent MOL file
NNClCl
Aryl halide

Properties

Molecular formula
C5H4Cl2N2
Molar mass
163.00 g/mol
Exact mass
161.9752 Da
logP
2.09Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
4316-97-6
SMILES
CC1=C(N=CN=C1Cl)Cl
InChIKey
NUEYDUKUIXVKNB-UHFFFAOYSA-N
InChI
InChI=1S/C5H4Cl2N2/c1-3-4(6)8-2-9-5(3)7/h2H,1H3

Weigh it out

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Work with 4,6-Dichloro-5-methylpyrimidine

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

6-Chloro-5-methylpyrimidin-4-amine14394-56-067 % similar 2,4,6-Trichloro-5-methylpyrimidine1780-36-555 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-555 % similar 4,5,6-Trichloropyrimidine1780-27-452 % similar 4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine108831-68-152 % similar 2,4-Dichloro-3-methylpyridine132097-09-750 % similar 4,6-Dichloro-5-methoxypyrimidine5018-38-248 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-548 % similar

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

Same formula

4,6-Dichloro-2-pyridinamine116632-24-7 2,4-Dichloropyridin-3-amine173772-63-9 4,6-Dichloro-2-methylpyrimidine1780-26-3 2,4-Dichloro-5-methylpyrimidine1780-31-0 2-Amino-4,5-dichloropyridine188577-68-6 3,6-Dichloro-4-methylpyridazine19064-64-3 4-Amino-3,5-dichloropyridine22889-78-7 4-Amino-2,6-dichloropyridine2587-02-2

Elsewhere

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