2,4-difluorothieno[3,2-d]pyrimidine

C6H2F2N2S — CID 141193724

IUPAC2,4-difluorothieno[3,2-d]pyrimidine
SMILESFc1nc(F)c2sccc2n1
InChIInChI=1S/C6H2F2N2S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H
InChIKeyDPFMAEQGGPNONT-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.97
Rot. Bonds

About 2,4-difluorothieno[3,2-d]pyrimidine

2,4-difluorothieno[3,2-d]pyrimidine (PubChem CID 141193724) has the molecular formula C6H2F2N2S and a molecular weight of 172.16 g/mol. Its IUPAC name is 2,4-difluorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-difluorothieno[3,2-d]pyrimidine
PubChem CID141193724
Molecular FormulaC6H2F2N2S
Molecular Weight172.16 g/mol
Exact Mass171.99
IUPAC Name2,4-difluorothieno[3,2-d]pyrimidine
SMILESFc1nc(F)c2sccc2n1
InChIInChI=1S/C6H2F2N2S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H
InChIKeyDPFMAEQGGPNONT-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluorothieno[3,2-d]pyrimidine?
The IUPAC name of 2,4-difluorothieno[3,2-d]pyrimidine (CID 141193724) is 2,4-difluorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-difluorothieno[3,2-d]pyrimidine?
The canonical SMILES for 2,4-difluorothieno[3,2-d]pyrimidine is Fc1nc(F)c2sccc2n1.
What is the InChIKey of 2,4-difluorothieno[3,2-d]pyrimidine?
The InChIKey is DPFMAEQGGPNONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N2S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H.
What are the key properties of 2,4-difluorothieno[3,2-d]pyrimidine?
2,4-difluorothieno[3,2-d]pyrimidine has a molecular weight of 172.16 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 141193724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).