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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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

4,6-Dichloro-5-methylpyrimidine4316-97-652 % similar 4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-847 % similar 4-Chloro-5-methylthieno[2,3-d]pyrimidine43088-67-147 % similar 6-Chloro-5-methylpyrimidin-4-amine14394-56-043 % similar 5-Bromo-4-chlorothieno[2,3-D]pyrimidine814918-95-141 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-638 % similar 6-Bromo-4-chlorothieno[2,3-D]pyrimidine56844-12-336 % similar 4-Chloro-5-phenylthieno[2,3-D]pyrimidine182198-35-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook