1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine

C18H26N4S — CID 84588592

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
SMILESCc1cc(N2CCC(NC(C)Cc3ccsc3)CC2)nc(C)n1
InChIInChI=1S/C18H26N4S/c1-13(10-16-6-9-23-12-16)20-17-4-7-22(8-5-17)18-11-14(2)19-15(3)21-18/h6,9,11-13,17,20H,4-5,7-8,10H2,1-3H3
InChIKeyQPGLAMFEUWYZLG-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.34
Rot. Bonds5

About 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine (PubChem CID 84588592) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
PubChem CID84588592
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
SMILESCc1cc(N2CCC(NC(C)Cc3ccsc3)CC2)nc(C)n1
InChIInChI=1S/C18H26N4S/c1-13(10-16-6-9-23-12-16)20-17-4-7-22(8-5-17)18-11-14(2)19-15(3)21-18/h6,9,11-13,17,20H,4-5,7-8,10H2,1-3H3
InChIKeyQPGLAMFEUWYZLG-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine 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-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine (CID 84588592) is 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine is Cc1cc(N2CCC(NC(C)Cc3ccsc3)CC2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine?
The InChIKey is QPGLAMFEUWYZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-13(10-16-6-9-23-12-16)20-17-4-7-22(8-5-17)18-11-14(2)19-15(3)21-18/h6,9,11-13,17,20H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine has a molecular weight of 330.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 84588592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).