2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol

C13H17N3OS — CID 8008870

IUPAC2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
SMILESOCC[C@@H]1CCCCN1c1ncnc2sccc12
InChIInChI=1S/C13H17N3OS/c17-7-4-10-3-1-2-6-16(10)12-11-5-8-18-13(11)15-9-14-12/h5,8-10,17H,1-4,6-7H2/t10-/m0/s1
InChIKeyAAWSEWRNHVTHRB-JTQLQIEISA-N
MW263.37 g/mol
LogP2.43
Rot. Bonds3

About 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol

2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol (PubChem CID 8008870) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
PubChem CID8008870
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
SMILESOCC[C@@H]1CCCCN1c1ncnc2sccc12
InChIInChI=1S/C13H17N3OS/c17-7-4-10-3-1-2-6-16(10)12-11-5-8-18-13(11)15-9-14-12/h5,8-10,17H,1-4,6-7H2/t10-/m0/s1
InChIKeyAAWSEWRNHVTHRB-JTQLQIEISA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol with MolForge

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Related Compounds

4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
4-[2-(bromomethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 80676014
4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 63254204
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
CID 102687014
4-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95341463
[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119176994
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol (CID 8008870) is 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol is OCC[C@@H]1CCCCN1c1ncnc2sccc12.
What is the InChIKey of 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol?
The InChIKey is AAWSEWRNHVTHRB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3OS/c17-7-4-10-3-1-2-6-16(10)12-11-5-8-18-13(11)15-9-14-12/h5,8-10,17H,1-4,6-7H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol?
2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol has a molecular weight of 263.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol is sourced from PubChem (CID 8008870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).