2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C13H11FN4S — CID 79713337

IUPAC2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccc(F)cn3)nc(N)c2c1C
InChIInChI=1S/C13H11FN4S/c1-6-7(2)19-13-10(6)11(15)17-12(18-13)9-4-3-8(14)5-16-9/h3-5H,1-2H3,(H2,15,17,18)
InChIKeyDEAUMAMILZAOPZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.09
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 79713337) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID79713337
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccc(F)cn3)nc(N)c2c1C
InChIInChI=1S/C13H11FN4S/c1-6-7(2)19-13-10(6)11(15)17-12(18-13)9-4-3-8(14)5-16-9/h3-5H,1-2H3,(H2,15,17,18)
InChIKeyDEAUMAMILZAOPZ-UHFFFAOYSA-N
XLogP3.09
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 79713337) is 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3ccc(F)cn3)nc(N)c2c1C.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DEAUMAMILZAOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-6-7(2)19-13-10(6)11(15)17-12(18-13)9-4-3-8(14)5-16-9/h3-5H,1-2H3,(H2,15,17,18).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 274.32 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79713337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).