1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol

C20H16N2O2S — CID 51112644

IUPAC1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol
SMILESCC(O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1
InChIInChI=1S/C20H16N2O2S/c1-13(23)15-8-5-9-16(10-15)24-19-17-11-18(14-6-3-2-4-7-14)25-20(17)22-12-21-19/h2-13,23H,1H3
InChIKeyLKJZNBSDPDLOHV-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.20
Rot. Bonds4

About 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol

1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol (PubChem CID 51112644) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol
PubChem CID51112644
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol
SMILESCC(O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1
InChIInChI=1S/C20H16N2O2S/c1-13(23)15-8-5-9-16(10-15)24-19-17-11-18(14-6-3-2-4-7-14)25-20(17)22-12-21-19/h2-13,23H,1H3
InChIKeyLKJZNBSDPDLOHV-UHFFFAOYSA-N
XLogP5.20
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol (CID 51112644) is 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol is CC(O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1.
What is the InChIKey of 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol?
The InChIKey is LKJZNBSDPDLOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13(23)15-8-5-9-16(10-15)24-19-17-11-18(14-6-3-2-4-7-14)25-20(17)22-12-21-19/h2-13,23H,1H3.
What are the key properties of 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol?
1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol has a molecular weight of 348.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 51112644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).