2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol

C24H30ClN5OS — CID 58603709

IUPAC2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCN(Cc1ccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)s1)C1CCNCC1
InChIInChI=1S/C24H30ClN5OS/c1-2-30(18-8-11-26-12-9-18)16-19-4-6-23(32-19)21-10-14-28-24(29-21)27-13-7-17-3-5-22(31)20(25)15-17/h3-6,10,14-15,18,26,31H,2,7-9,11-13,16H2,1H3,(H,27,28,29)
InChIKeyOSCLGDRBWNYJBX-UHFFFAOYSA-N
MW472.06 g/mol
LogP4.79
Rot. Bonds9

About 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol

2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 58603709) has the molecular formula C24H30ClN5OS and a molecular weight of 472.06 g/mol. Its IUPAC name is 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID58603709
Molecular FormulaC24H30ClN5OS
Molecular Weight472.06 g/mol
Exact Mass471.19
IUPAC Name2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCN(Cc1ccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)s1)C1CCNCC1
InChIInChI=1S/C24H30ClN5OS/c1-2-30(18-8-11-26-12-9-18)16-19-4-6-23(32-19)21-10-14-28-24(29-21)27-13-7-17-3-5-22(31)20(25)15-17/h3-6,10,14-15,18,26,31H,2,7-9,11-13,16H2,1H3,(H,27,28,29)
InChIKeyOSCLGDRBWNYJBX-UHFFFAOYSA-N
XLogP4.79
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.06
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]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 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol (CID 58603709) is 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol is CCN(Cc1ccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)s1)C1CCNCC1.
What is the InChIKey of 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is OSCLGDRBWNYJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5OS/c1-2-30(18-8-11-26-12-9-18)16-19-4-6-23(32-19)21-10-14-28-24(29-21)27-13-7-17-3-5-22(31)20(25)15-17/h3-6,10,14-15,18,26,31H,2,7-9,11-13,16H2,1H3,(H,27,28,29).
What are the key properties of 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol?
2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 472.06 g/mol, XLogP of 4.79, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[[4-[5-[[ethyl(piperidin-4-yl)amino]methyl]thiophen-2-yl]pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 58603709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).