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1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C15H16FN3OS — CID 135113076

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESFc1cnc(N2CCC3(CC2)OCCc2sccc23)nc1
InChIInChI=1S/C15H16FN3OS/c16-11-9-17-14(18-10-11)19-5-3-15(4-6-19)12-2-8-21-13(12)1-7-20-15/h2,8-10H,1,3-7H2
InChIKeyVJQAOHCSSCDVGV-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.75
Rot. Bonds1

About 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 135113076) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID135113076
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESFc1cnc(N2CCC3(CC2)OCCc2sccc23)nc1
InChIInChI=1S/C15H16FN3OS/c16-11-9-17-14(18-10-11)19-5-3-15(4-6-19)12-2-8-21-13(12)1-7-20-15/h2,8-10H,1,3-7H2
InChIKeyVJQAOHCSSCDVGV-UHFFFAOYSA-N
XLogP2.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 135113076) is 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is Fc1cnc(N2CCC3(CC2)OCCc2sccc23)nc1.
What is the InChIKey of 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is VJQAOHCSSCDVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-11-9-17-14(18-10-11)19-5-3-15(4-6-19)12-2-8-21-13(12)1-7-20-15/h2,8-10H,1,3-7H2.
What are the key properties of 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 305.38 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-fluoropyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 135113076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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