5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine

C8H8F2N2S — CID 177024536

IUPAC5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)SCC2(F)F
InChIInChI=1S/C8H8F2N2S/c1-4-6-7(12-5(2)11-4)13-3-8(6,9)10/h3H2,1-2H3
InChIKeyOCKNKQXQPOMDFS-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.29
Rot. Bonds

About 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine

5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine (PubChem CID 177024536) has the molecular formula C8H8F2N2S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine
PubChem CID177024536
Molecular FormulaC8H8F2N2S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)SCC2(F)F
InChIInChI=1S/C8H8F2N2S/c1-4-6-7(12-5(2)11-4)13-3-8(6,9)10/h3H2,1-2H3
InChIKeyOCKNKQXQPOMDFS-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine?
The IUPAC name of 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine (CID 177024536) is 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)SCC2(F)F.
What is the InChIKey of 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine?
The InChIKey is OCKNKQXQPOMDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2S/c1-4-6-7(12-5(2)11-4)13-3-8(6,9)10/h3H2,1-2H3.
What are the key properties of 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine?
5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine has a molecular weight of 202.23 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,4-dimethyl-6H-thieno[2,3-d]pyrimidine is sourced from PubChem (CID 177024536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).