6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one

C15H15N3OS — CID 66744074

IUPAC6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one
SMILESO=C1NC2(CCCC2)Nc2cc(-c3ccncc3)sc21
InChIInChI=1S/C15H15N3OS/c19-14-13-11(17-15(18-14)5-1-2-6-15)9-12(20-13)10-3-7-16-8-4-10/h3-4,7-9,17H,1-2,5-6H2,(H,18,19)
InChIKeyWQARQWDQCXNHMM-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.24
Rot. Bonds1

About 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one

6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one (PubChem CID 66744074) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one
PubChem CID66744074
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one
SMILESO=C1NC2(CCCC2)Nc2cc(-c3ccncc3)sc21
InChIInChI=1S/C15H15N3OS/c19-14-13-11(17-15(18-14)5-1-2-6-15)9-12(20-13)10-3-7-16-8-4-10/h3-4,7-9,17H,1-2,5-6H2,(H,18,19)
InChIKeyWQARQWDQCXNHMM-UHFFFAOYSA-N
XLogP3.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one?
The IUPAC name of 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one (CID 66744074) is 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one?
The canonical SMILES for 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one is O=C1NC2(CCCC2)Nc2cc(-c3ccncc3)sc21.
What is the InChIKey of 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one?
The InChIKey is WQARQWDQCXNHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-14-13-11(17-15(18-14)5-1-2-6-15)9-12(20-13)10-3-7-16-8-4-10/h3-4,7-9,17H,1-2,5-6H2,(H,18,19).
What are the key properties of 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one?
6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-ylspiro[1,3-dihydrothieno[3,2-d]pyrimidine-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 66744074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).