2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C15H19N3OS — CID 81097789

IUPAC2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESOC12CCCCC1CN(c1ncnc3sccc13)CC2
InChIInChI=1S/C15H19N3OS/c19-15-5-2-1-3-11(15)9-18(7-6-15)13-12-4-8-20-14(12)17-10-16-13/h4,8,10-11,19H,1-3,5-7,9H2
InChIKeyUKJUXDBHTKREIY-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.82
Rot. Bonds1

About 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81097789) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81097789
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESOC12CCCCC1CN(c1ncnc3sccc13)CC2
InChIInChI=1S/C15H19N3OS/c19-15-5-2-1-3-11(15)9-18(7-6-15)13-12-4-8-20-14(12)17-10-16-13/h4,8,10-11,19H,1-3,5-7,9H2
InChIKeyUKJUXDBHTKREIY-UHFFFAOYSA-N
XLogP2.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
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
(3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol
CID 163307342
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 103725139
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
2-quinoxalin-2-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097650
2-(3-methylpyrazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 83064795
2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
CID 8008870
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039

Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81097789) is 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is OC12CCCCC1CN(c1ncnc3sccc13)CC2.
What is the InChIKey of 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is UKJUXDBHTKREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15-5-2-1-3-11(15)9-18(7-6-15)13-12-4-8-20-14(12)17-10-16-13/h4,8,10-11,19H,1-3,5-7,9H2.
What are the key properties of 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 289.40 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81097789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).