4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol

C28H32N4O4S — CID 24937389

IUPAC4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol
SMILESCOCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O
InChIInChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3
InChIKeyHPTKHKFFMSMJTM-UHFFFAOYSA-N
MW520.66 g/mol
LogP4.21
Rot. Bonds10

About 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol

4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol (PubChem CID 24937389) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol.

Molecular Properties

Compound Name4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol
PubChem CID24937389
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC Name4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol
SMILESCOCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O
InChIInChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3
InChIKeyHPTKHKFFMSMJTM-UHFFFAOYSA-N
XLogP4.21
TPSA99.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol 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 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol?
The IUPAC name of 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol (CID 24937389) is 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol.
What is the SMILES notation for 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol?
The canonical SMILES for 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol is COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O.
What is the InChIKey of 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol?
The InChIKey is HPTKHKFFMSMJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3.
What are the key properties of 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol?
4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol has a molecular weight of 520.66 g/mol, XLogP of 4.21, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]-2-(methoxymethyl)phenol is sourced from PubChem (CID 24937389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).