1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine

C16H22N4S — CID 71980333

IUPAC1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3cccs3)CC2)ncn1
InChIInChI=1S/C16H22N4S/c1-2-13-10-16(19-12-18-13)20-7-5-14(6-8-20)17-11-15-4-3-9-21-15/h3-4,9-10,12,14,17H,2,5-8,11H2,1H3
InChIKeyKAJOQIMNGVXTQM-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.86
Rot. Bonds5

About 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine

1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 71980333) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID71980333
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3cccs3)CC2)ncn1
InChIInChI=1S/C16H22N4S/c1-2-13-10-16(19-12-18-13)20-7-5-14(6-8-20)17-11-15-4-3-9-21-15/h3-4,9-10,12,14,17H,2,5-8,11H2,1H3
InChIKeyKAJOQIMNGVXTQM-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)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-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 71980333) is 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is CCc1cc(N2CCC(NCc3cccs3)CC2)ncn1.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is KAJOQIMNGVXTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-13-10-16(19-12-18-13)20-7-5-14(6-8-20)17-11-15-4-3-9-21-15/h3-4,9-10,12,14,17H,2,5-8,11H2,1H3.
What are the key properties of 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 71980333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).