6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine

C17H11FN4OS — CID 122178116

IUPAC6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
SMILESCOc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1F
InChIInChI=1S/C17H11FN4OS/c1-23-16-13(18)6-11(8-20-16)14-7-12-15(10-2-4-19-5-3-10)21-9-22-17(12)24-14/h2-9H,1H3
InChIKeyYZFUHACUOJPUBL-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.96
Rot. Bonds3

About 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine

6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine (PubChem CID 122178116) has the molecular formula C17H11FN4OS and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
PubChem CID122178116
Molecular FormulaC17H11FN4OS
Molecular Weight338.37 g/mol
Exact Mass338.06
IUPAC Name6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
SMILESCOc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1F
InChIInChI=1S/C17H11FN4OS/c1-23-16-13(18)6-11(8-20-16)14-7-12-15(10-2-4-19-5-3-10)21-9-22-17(12)24-14/h2-9H,1H3
InChIKeyYZFUHACUOJPUBL-UHFFFAOYSA-N
XLogP3.96
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine (CID 122178116) is 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine is COc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1F.
What is the InChIKey of 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The InChIKey is YZFUHACUOJPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS/c1-23-16-13(18)6-11(8-20-16)14-7-12-15(10-2-4-19-5-3-10)21-9-22-17(12)24-14/h2-9H,1H3.
What are the key properties of 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine has a molecular weight of 338.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 122178116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).