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

C14H11FN2OS — CID 9212907

IUPAC4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3ccccc3F)c2c1C
InChIInChI=1S/C14H11FN2OS/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3
InChIKeyNGCDXHHOOUGDDK-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.24
Rot. Bonds2

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

4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 9212907) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID9212907
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3ccccc3F)c2c1C
InChIInChI=1S/C14H11FN2OS/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3
InChIKeyNGCDXHHOOUGDDK-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 9212907) is 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(Oc3ccccc3F)c2c1C.
What is the InChIKey of 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is NGCDXHHOOUGDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3.
What are the key properties of 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 274.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 9212907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).