(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol

C11H13N3OS — CID 9283193

IUPAC(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
SMILESO[C@@H]1CCCN(c2ncnc3sccc23)C1
InChIInChI=1S/C11H13N3OS/c15-8-2-1-4-14(6-8)10-9-3-5-16-11(9)13-7-12-10/h3,5,7-8,15H,1-2,4,6H2/t8-/m1/s1
InChIKeyCRDLYABAIMHGTK-MRVPVSSYSA-N
MW235.31 g/mol
LogP1.65
Rot. Bonds1

About (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol

(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol (PubChem CID 9283193) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
PubChem CID9283193
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
SMILESO[C@@H]1CCCN(c2ncnc3sccc23)C1
InChIInChI=1S/C11H13N3OS/c15-8-2-1-4-14(6-8)10-9-3-5-16-11(9)13-7-12-10/h3,5,7-8,15H,1-2,4,6H2/t8-/m1/s1
InChIKeyCRDLYABAIMHGTK-MRVPVSSYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[2,3-d]pyrimidine
CID 11936596
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588139
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62587427
2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097789
4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53230258
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 166602913
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 111694957
N-(4-aminophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 167778225

Frequently Asked Questions

What is the IUPAC name of (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol?
The IUPAC name of (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol (CID 9283193) is (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol.
What is the SMILES notation for (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol?
The canonical SMILES for (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol is O[C@@H]1CCCN(c2ncnc3sccc23)C1.
What is the InChIKey of (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol?
The InChIKey is CRDLYABAIMHGTK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-8-2-1-4-14(6-8)10-9-3-5-16-11(9)13-7-12-10/h3,5,7-8,15H,1-2,4,6H2/t8-/m1/s1.
What are the key properties of (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol?
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol has a molecular weight of 235.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol is sourced from PubChem (CID 9283193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).