[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol

C18H19N3OS — CID 3902316

IUPAC[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ncnc3sc(-c4ccccc4)cc23)C1
InChIInChI=1S/C18H19N3OS/c22-11-13-5-4-8-21(10-13)17-15-9-16(14-6-2-1-3-7-14)23-18(15)20-12-19-17/h1-3,6-7,9,12-13,22H,4-5,8,10-11H2
InChIKeyDHKNRQMUHWBVDJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.57
Rot. Bonds3

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

[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 3902316) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID3902316
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ncnc3sc(-c4ccccc4)cc23)C1
InChIInChI=1S/C18H19N3OS/c22-11-13-5-4-8-21(10-13)17-15-9-16(14-6-2-1-3-7-14)23-18(15)20-12-19-17/h1-3,6-7,9,12-13,22H,4-5,8,10-11H2
InChIKeyDHKNRQMUHWBVDJ-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-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol (CID 3902316) is [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol is OCC1CCCN(c2ncnc3sc(-c4ccccc4)cc23)C1.
What is the InChIKey of [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is DHKNRQMUHWBVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-11-13-5-4-8-21(10-13)17-15-9-16(14-6-2-1-3-7-14)23-18(15)20-12-19-17/h1-3,6-7,9,12-13,22H,4-5,8,10-11H2.
What are the key properties of [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
[1-(6-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-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 3902316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).