chempirical

2,4-Dichloro-6-methyl-5-nitropyrimidine

C5H3Cl2N3O2CAS 13162-26-0208.00 g/mol

Open in Covalent MOL file
NNClClN+OO−
Aryl halideNitro

Properties

Molecular formula
C5H3Cl2N3O2
Molar mass
208.00 g/mol
Exact mass
206.9602 Da
logP
2.00Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
13162-26-0
SMILES
CC1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]
InChIKey
NBCOZXBHPKSFSA-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Cl2N3O2/c1-2-3(10(11)12)4(6)9-5(7)8-2/h1H3

Weigh it out

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

Work with 2,4-Dichloro-6-methyl-5-nitropyrimidine

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

4,6-Dichloro-5-nitropyrimidine4316-93-249 % similar 3-Bromo-6-chloro-2-methyl-5-nitropyridine186413-75-248 % similar 3-Bromo-2-chloro-6-methyl-5-nitropyridine856834-95-248 % similar 6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione16632-21-645 % similar 6-Chloro-2-methyl-3-nitropyridine22280-60-045 % similar 2,4-Dichloro-5-amino-6-methylpyrimidine13162-27-144 % similar 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine145783-14-844 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-244 % similar

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

Elsewhere

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