2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol

C20H23N3OS — CID 133403636

IUPAC2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol
SMILESCCc1nc(N2CCCC2CC(O)c2ccccc2)c2ccsc2n1
InChIInChI=1S/C20H23N3OS/c1-2-18-21-19(16-10-12-25-20(16)22-18)23-11-6-9-15(23)13-17(24)14-7-4-3-5-8-14/h3-5,7-8,10,12,15,17,24H,2,6,9,11,13H2,1H3
InChIKeyXLZIOYNTZBHTCJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.35
Rot. Bonds5

About 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol

2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 133403636) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol
PubChem CID133403636
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol
SMILESCCc1nc(N2CCCC2CC(O)c2ccccc2)c2ccsc2n1
InChIInChI=1S/C20H23N3OS/c1-2-18-21-19(16-10-12-25-20(16)22-18)23-11-6-9-15(23)13-17(24)14-7-4-3-5-8-14/h3-5,7-8,10,12,15,17,24H,2,6,9,11,13H2,1H3
InChIKeyXLZIOYNTZBHTCJ-UHFFFAOYSA-N
XLogP4.35
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide
CID 133403725
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
CID 133404111
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526
2-[1-(6-amino-5-chloropyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol
CID 122139376
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
(2-ethyl-1H-imidazol-5-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111781389

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol (CID 133403636) is 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol is CCc1nc(N2CCCC2CC(O)c2ccccc2)c2ccsc2n1.
What is the InChIKey of 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is XLZIOYNTZBHTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-2-18-21-19(16-10-12-25-20(16)22-18)23-11-6-9-15(23)13-17(24)14-7-4-3-5-8-14/h3-5,7-8,10,12,15,17,24H,2,6,9,11,13H2,1H3.
What are the key properties of 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol?
2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 353.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 133403636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).