1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol

C19H24N4O2S — CID 135107849

IUPAC1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(N3CCC4(CC3)OCCc3sccc34)n2)C1
InChIInChI=1S/C19H24N4O2S/c24-14-2-8-23(13-14)17-1-7-20-18(21-17)22-9-5-19(6-10-22)15-4-12-26-16(15)3-11-25-19/h1,4,7,12,14,24H,2-3,5-6,8-11,13H2
InChIKeyDUMZMMMYCZUWCP-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.18
Rot. Bonds2

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

1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 135107849) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID135107849
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(N3CCC4(CC3)OCCc3sccc34)n2)C1
InChIInChI=1S/C19H24N4O2S/c24-14-2-8-23(13-14)17-1-7-20-18(21-17)22-9-5-19(6-10-22)15-4-12-26-16(15)3-11-25-19/h1,4,7,12,14,24H,2-3,5-6,8-11,13H2
InChIKeyDUMZMMMYCZUWCP-UHFFFAOYSA-N
XLogP2.18
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95128012
1'-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96579260
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 133108076
4-[4-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzoic acid
CID 135109084
(3S)-1-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-ol
CID 171359732
1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 56897191
4-ethyl-5-[1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 95209992
1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 163310565
2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 95124915

Frequently Asked Questions

What is the IUPAC name of 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 135107849) is 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol is OC1CCN(c2ccnc(N3CCC4(CC3)OCCc3sccc34)n2)C1.
What is the InChIKey of 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is DUMZMMMYCZUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-14-2-8-23(13-14)17-1-7-20-18(21-17)22-9-5-19(6-10-22)15-4-12-26-16(15)3-11-25-19/h1,4,7,12,14,24H,2-3,5-6,8-11,13H2.
What are the key properties of 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol?
1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 372.49 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 135107849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).