2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol

C25H27N5OS — CID 67382184

IUPAC2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2nc(NCc3ccccn3)c3c(-c4ccccc4)csc3n2)CC1
InChIInChI=1S/C25H27N5OS/c31-15-11-18-9-13-30(14-10-18)25-28-23(27-16-20-8-4-5-12-26-20)22-21(17-32-24(22)29-25)19-6-2-1-3-7-19/h1-8,12,17-18,31H,9-11,13-16H2,(H,27,28,29)
InChIKeySTTIMTAYMNMPLE-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.96
Rot. Bonds7

About 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol

2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol (PubChem CID 67382184) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol
PubChem CID67382184
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2nc(NCc3ccccn3)c3c(-c4ccccc4)csc3n2)CC1
InChIInChI=1S/C25H27N5OS/c31-15-11-18-9-13-30(14-10-18)25-28-23(27-16-20-8-4-5-12-26-20)22-21(17-32-24(22)29-25)19-6-2-1-3-7-19/h1-8,12,17-18,31H,9-11,13-16H2,(H,27,28,29)
InChIKeySTTIMTAYMNMPLE-UHFFFAOYSA-N
XLogP4.96
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol (CID 67382184) is 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol is OCCC1CCN(c2nc(NCc3ccccn3)c3c(-c4ccccc4)csc3n2)CC1.
What is the InChIKey of 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol?
The InChIKey is STTIMTAYMNMPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c31-15-11-18-9-13-30(14-10-18)25-28-23(27-16-20-8-4-5-12-26-20)22-21(17-32-24(22)29-25)19-6-2-1-3-7-19/h1-8,12,17-18,31H,9-11,13-16H2,(H,27,28,29).
What are the key properties of 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol?
2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol has a molecular weight of 445.59 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 67382184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).