phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol

C18H19N3OS — CID 24620995

IUPACphenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol
SMILESOC(c1ccccc1)C1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C18H19N3OS/c22-16(13-4-2-1-3-5-13)14-6-9-21(10-7-14)17-15-8-11-23-18(15)20-12-19-17/h1-5,8,11-12,14,16,22H,6-7,9-10H2
InChIKeyMXWXZUSVLXTIAO-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.64
Rot. Bonds3

About phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol

phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol (PubChem CID 24620995) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Namephenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol
PubChem CID24620995
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Namephenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol
SMILESOC(c1ccccc1)C1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C18H19N3OS/c22-16(13-4-2-1-3-5-13)14-6-9-21(10-7-14)17-15-8-11-23-18(15)20-12-19-17/h1-5,8,11-12,14,16,22H,6-7,9-10H2
InChIKeyMXWXZUSVLXTIAO-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol?
The IUPAC name of phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol (CID 24620995) is phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol.
What is the SMILES notation for phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol?
The canonical SMILES for phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol is OC(c1ccccc1)C1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol?
The InChIKey is MXWXZUSVLXTIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-16(13-4-2-1-3-5-13)14-6-9-21(10-7-14)17-15-8-11-23-18(15)20-12-19-17/h1-5,8,11-12,14,16,22H,6-7,9-10H2.
What are the key properties of phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol?
phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol has a molecular weight of 325.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 24620995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).