2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol

C18H19N3O2S — CID 97248156

IUPAC2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol
SMILESOCC[C@@H]1COCCN1c1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H19N3O2S/c22-8-6-14-10-23-9-7-21(14)17-16-15(13-4-2-1-3-5-13)11-24-18(16)20-12-19-17/h1-5,11-12,14,22H,6-10H2/t14-/m1/s1
InChIKeyYUQIFKLFVGWMHL-CQSZACIVSA-N
MW341.44 g/mol
LogP2.95
Rot. Bonds4

About 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol

2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol (PubChem CID 97248156) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol
PubChem CID97248156
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol
SMILESOCC[C@@H]1COCCN1c1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H19N3O2S/c22-8-6-14-10-23-9-7-21(14)17-16-15(13-4-2-1-3-5-13)11-24-18(16)20-12-19-17/h1-5,11-12,14,22H,6-10H2/t14-/m1/s1
InChIKeyYUQIFKLFVGWMHL-CQSZACIVSA-N
XLogP2.95
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 71931211
5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine
CID 6922306
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
CID 23736071
[8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 140661432
4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 1224171
3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43069746
4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 166626749
1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 127024573

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol?
The IUPAC name of 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol (CID 97248156) is 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol is OCC[C@@H]1COCCN1c1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol?
The InChIKey is YUQIFKLFVGWMHL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-8-6-14-10-23-9-7-21(14)17-16-15(13-4-2-1-3-5-13)11-24-18(16)20-12-19-17/h1-5,11-12,14,22H,6-10H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol?
2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol has a molecular weight of 341.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol is sourced from PubChem (CID 97248156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).