4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine

C14H9ClF2N2S — CID 43658628

IUPAC4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(-c3ccc(F)c(F)c3)nc(Cl)c2c1C
InChIInChI=1S/C14H9ClF2N2S/c1-6-7(2)20-14-11(6)12(15)18-13(19-14)8-3-4-9(16)10(17)5-8/h3-5H,1-2H3
InChIKeyYLCQITMYBGXQJQ-UHFFFAOYSA-N
MW310.76 g/mol
LogP4.91
Rot. Bonds1

About 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine

4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 43658628) has the molecular formula C14H9ClF2N2S and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID43658628
Molecular FormulaC14H9ClF2N2S
Molecular Weight310.76 g/mol
Exact Mass310.01
IUPAC Name4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(-c3ccc(F)c(F)c3)nc(Cl)c2c1C
InChIInChI=1S/C14H9ClF2N2S/c1-6-7(2)20-14-11(6)12(15)18-13(19-14)8-3-4-9(16)10(17)5-8/h3-5H,1-2H3
InChIKeyYLCQITMYBGXQJQ-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43519226
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 115532938
4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 55217795
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 62944582
4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline
CID 107999704
2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 61269033
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
CID 106818033
2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63617511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 43658628) is 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2nc(-c3ccc(F)c(F)c3)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is YLCQITMYBGXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2S/c1-6-7(2)20-14-11(6)12(15)18-13(19-14)8-3-4-9(16)10(17)5-8/h3-5H,1-2H3.
What are the key properties of 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 310.76 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 43658628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).