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

C9H8F2N2S2 — CID 2099930

IUPAC4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(SC(F)F)c2c1C
InChIInChI=1S/C9H8F2N2S2/c1-4-5(2)14-7-6(4)8(13-3-12-7)15-9(10)11/h3,9H,1-2H3
InChIKeyVYFSNUPMNJXQDN-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.62
Rot. Bonds2

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

4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 2099930) has the molecular formula C9H8F2N2S2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID2099930
Molecular FormulaC9H8F2N2S2
Molecular Weight246.31 g/mol
Exact Mass246.01
IUPAC Name4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(SC(F)F)c2c1C
InChIInChI=1S/C9H8F2N2S2/c1-4-5(2)14-7-6(4)8(13-3-12-7)15-9(10)11/h3,9H,1-2H3
InChIKeyVYFSNUPMNJXQDN-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)propan-1-one
CID 7887430
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 43384938
(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7887273
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
CID 54910806
(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 2612450
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 2407835
N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 24525954
N-(cyclopropylcarbamoyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 17400239
N'-[(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoyl]benzohydrazide
CID 8944380
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
CID 78762835
1-(2-chlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 112839907
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate
CID 2384231

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 2099930) is 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(SC(F)F)c2c1C.
What is the InChIKey of 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is VYFSNUPMNJXQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2S2/c1-4-5(2)14-7-6(4)8(13-3-12-7)15-9(10)11/h3,9H,1-2H3.
What are the key properties of 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 246.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2099930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).