2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine

C15H18N4OS — CID 155504472

IUPAC2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine
SMILESNc1ccnc(-c2cc3c(s2)C2(CCNCC2)OCC3)n1
InChIInChI=1S/C15H18N4OS/c16-12-1-5-18-14(19-12)11-9-10-2-8-20-15(13(10)21-11)3-6-17-7-4-15/h1,5,9,17H,2-4,6-8H2,(H2,16,18,19)
InChIKeyIMHIPYMEZUUWFM-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.94
Rot. Bonds1

About 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine

2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine (PubChem CID 155504472) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine
PubChem CID155504472
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine
SMILESNc1ccnc(-c2cc3c(s2)C2(CCNCC2)OCC3)n1
InChIInChI=1S/C15H18N4OS/c16-12-1-5-18-14(19-12)11-9-10-2-8-20-15(13(10)21-11)3-6-17-7-4-15/h1,5,9,17H,2-4,6-8H2,(H2,16,18,19)
InChIKeyIMHIPYMEZUUWFM-UHFFFAOYSA-N
XLogP1.94
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine?
The IUPAC name of 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine (CID 155504472) is 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine is Nc1ccnc(-c2cc3c(s2)C2(CCNCC2)OCC3)n1.
What is the InChIKey of 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine?
The InChIKey is IMHIPYMEZUUWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-12-1-5-18-14(19-12)11-9-10-2-8-20-15(13(10)21-11)3-6-17-7-4-15/h1,5,9,17H,2-4,6-8H2,(H2,16,18,19).
What are the key properties of 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine?
2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine has a molecular weight of 302.40 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine is sourced from PubChem (CID 155504472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).