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

C17H20FN3OS — CID 137339488

IUPAC1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCc1ncnc(N2CCC3(CC2)OCCc2ccsc23)c1F
InChIInChI=1S/C17H20FN3OS/c1-2-13-14(18)16(20-11-19-13)21-7-5-17(6-8-21)15-12(3-9-22-17)4-10-23-15/h4,10-11H,2-3,5-9H2,1H3
InChIKeyNDMCZZANEXROJO-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.31
Rot. Bonds2

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

1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 137339488) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID137339488
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCc1ncnc(N2CCC3(CC2)OCCc2ccsc23)c1F
InChIInChI=1S/C17H20FN3OS/c1-2-13-14(18)16(20-11-19-13)21-7-5-17(6-8-21)15-12(3-9-22-17)4-10-23-15/h4,10-11H,2-3,5-9H2,1H3
InChIKeyNDMCZZANEXROJO-UHFFFAOYSA-N
XLogP3.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 137339488) is 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CCc1ncnc(N2CCC3(CC2)OCCc2ccsc23)c1F.
What is the InChIKey of 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is NDMCZZANEXROJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-2-13-14(18)16(20-11-19-13)21-7-5-17(6-8-21)15-12(3-9-22-17)4-10-23-15/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 333.43 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 137339488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).