5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C14H13FN4OS — CID 58629082

IUPAC5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3scc(F)c23)cn1
InChIInChI=1S/C14H13FN4OS/c1-8(9-3-4-11(20-2)16-5-9)19-13-12-10(15)6-21-14(12)18-7-17-13/h3-8H,1-2H3,(H,17,18,19)
InChIKeyGJUPEIAPDWRJAH-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.41
Rot. Bonds4

About 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 58629082) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID58629082
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC Name5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3scc(F)c23)cn1
InChIInChI=1S/C14H13FN4OS/c1-8(9-3-4-11(20-2)16-5-9)19-13-12-10(15)6-21-14(12)18-7-17-13/h3-8H,1-2H3,(H,17,18,19)
InChIKeyGJUPEIAPDWRJAH-UHFFFAOYSA-N
XLogP3.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 58629082) is 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(C(C)Nc2ncnc3scc(F)c23)cn1.
What is the InChIKey of 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GJUPEIAPDWRJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c1-8(9-3-4-11(20-2)16-5-9)19-13-12-10(15)6-21-14(12)18-7-17-13/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58629082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).