1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol

C20H24N4O2S — CID 52947562

IUPAC1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol
SMILESOC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1
InChIInChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)19-18-8-11-27-20(18)23-14-22-19/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2
InChIKeyXLYXYLPVZZDCFZ-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.69
Rot. Bonds7

About 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol

1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 52947562) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol
PubChem CID52947562
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol
SMILESOC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1
InChIInChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)19-18-8-11-27-20(18)23-14-22-19/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2
InChIKeyXLYXYLPVZZDCFZ-UHFFFAOYSA-N
XLogP2.69
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

CID 1999904
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CID 24936626
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CID 24936881
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CID 24936882
CID 24936882
CID 24936885
CID 24936885
CID 24937389
CID 24937389
CID 78319175
CID 78319175
CID 127026080
CID 127026080
CID 1946404
CID 1946404
CID 1948833
CID 1948833
CID 2443590
CID 2443590

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol (CID 52947562) is 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol is OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1.
What is the InChIKey of 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is XLYXYLPVZZDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)19-18-8-11-27-20(18)23-14-22-19/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2.
What are the key properties of 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol?
1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 384.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 52947562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).