2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol

C22H25N3O2S — CID 133315214

IUPAC2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)C1
InChIInChI=1S/C22H25N3O2S/c26-11-12-27-17-7-4-10-25(13-17)21-19-18(15-5-2-1-3-6-15)14-28-22(19)24-20(23-21)16-8-9-16/h1-3,5-6,14,16-17,26H,4,7-13H2
InChIKeyAMOFVMWESBXVHC-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.21
Rot. Bonds6

About 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol

2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol (PubChem CID 133315214) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
PubChem CID133315214
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)C1
InChIInChI=1S/C22H25N3O2S/c26-11-12-27-17-7-4-10-25(13-17)21-19-18(15-5-2-1-3-6-15)14-28-22(19)24-20(23-21)16-8-9-16/h1-3,5-6,14,16-17,26H,4,7-13H2
InChIKeyAMOFVMWESBXVHC-UHFFFAOYSA-N
XLogP4.21
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol (CID 133315214) is 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol is OCCOC1CCCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)C1.
What is the InChIKey of 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol?
The InChIKey is AMOFVMWESBXVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-11-12-27-17-7-4-10-25(13-17)21-19-18(15-5-2-1-3-6-15)14-28-22(19)24-20(23-21)16-8-9-16/h1-3,5-6,14,16-17,26H,4,7-13H2.
What are the key properties of 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol?
2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol has a molecular weight of 395.53 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 133315214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).