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

C18H19N3OS — CID 4540225

IUPAC[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1
InChIInChI=1S/C18H19N3OS/c22-10-13-5-4-8-21(9-13)17-16-15(14-6-2-1-3-7-14)11-23-18(16)20-12-19-17/h1-3,6-7,11-13,22H,4-5,8-10H2
InChIKeyDPNXCAIGIMLFBE-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.57
Rot. Bonds3

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

[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 4540225) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID4540225
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1
InChIInChI=1S/C18H19N3OS/c22-10-13-5-4-8-21(9-13)17-16-15(14-6-2-1-3-7-14)11-23-18(16)20-12-19-17/h1-3,6-7,11-13,22H,4-5,8-10H2
InChIKeyDPNXCAIGIMLFBE-UHFFFAOYSA-N
XLogP3.57
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol (CID 4540225) is [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol is OCC1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1.
What is the InChIKey of [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is DPNXCAIGIMLFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-10-13-5-4-8-21(9-13)17-16-15(14-6-2-1-3-7-14)11-23-18(16)20-12-19-17/h1-3,6-7,11-13,22H,4-5,8-10H2.
What are the key properties of [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 325.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 4540225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).