chempirical

4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine

C8H7ClN2SCAS 108831-68-1198.67 g/mol

Open in Covalent MOL file
SNNCl
Aryl halide

Properties

Molecular formula
C8H7ClN2S
Molar mass
198.67 g/mol
Exact mass
198.0018 Da
logP
2.96Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
108831-68-1
SMILES
CC1=C(SC2=C1C(=NC=N2)Cl)C
InChIKey
HYOBKTVPACQCBR-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClN2S/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 4-Chloro-5,6-dimethylthieno[2,3-D]pyrimidine

Work with 4-Chloro-5,6-dimethylthieno(2,3-d)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

4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-847 % similar 4-Chloro-5-methylthieno[2,3-D]pyrimidine43088-67-147 % similar 4,5,6-Trichloropyrimidine1780-27-435 % similar 4,6-Dichloro-5-methoxypyrimidine5018-38-234 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-533 % similar 4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-833 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-933 % similar 5-Amino-4,6-dichloropyrimidine5413-85-433 % similar

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

Elsewhere

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