1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C15H17N3OS — CID 172905876

IUPAC1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1cnc(N2CCC3(CC2)OCCc2ccsc23)nc1
InChIInChI=1S/C15H17N3OS/c1-6-16-14(17-7-1)18-8-4-15(5-9-18)13-12(2-10-19-15)3-11-20-13/h1,3,6-7,11H,2,4-5,8-10H2
InChIKeyDYAYZPLGRDDOMY-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.61
Rot. Bonds1

About 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 172905876) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID172905876
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1cnc(N2CCC3(CC2)OCCc2ccsc23)nc1
InChIInChI=1S/C15H17N3OS/c1-6-16-14(17-7-1)18-8-4-15(5-9-18)13-12(2-10-19-15)3-11-20-13/h1,3,6-7,11H,2,4-5,8-10H2
InChIKeyDYAYZPLGRDDOMY-UHFFFAOYSA-N
XLogP2.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 172905876) is 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is c1cnc(N2CCC3(CC2)OCCc2ccsc23)nc1.
What is the InChIKey of 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is DYAYZPLGRDDOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-6-16-14(17-7-1)18-8-4-15(5-9-18)13-12(2-10-19-15)3-11-20-13/h1,3,6-7,11H,2,4-5,8-10H2.
What are the key properties of 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 287.39 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyrimidin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 172905876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).