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

C20H24N4O2S — CID 52946537

IUPAC1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol
SMILESOC(CNC1CCN(c2ncnc3ccsc23)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)20-19-18(8-11-27-19)22-14-23-20/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2
InChIKeyLKDUKYSSAMAXEU-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.69
Rot. Bonds7

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

1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 52946537) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol
PubChem CID52946537
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol
SMILESOC(CNC1CCN(c2ncnc3ccsc23)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)20-19-18(8-11-27-19)22-14-23-20/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2
InChIKeyLKDUKYSSAMAXEU-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[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol (CID 52946537) is 1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol is OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1.
What is the InChIKey of 1-phenoxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is LKDUKYSSAMAXEU-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)20-19-18(8-11-27-19)22-14-23-20/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[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol?
1-phenoxy-3-[(1-thieno[3,2-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[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 52946537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).