4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine

C20H24N4O — CID 53341524

IUPAC4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine
SMILESCCc1ncnc(N2CCC(OC)CC2)c1C#Cc1ccc(C)nc1
InChIInChI=1S/C20H24N4O/c1-4-19-18(8-7-16-6-5-15(2)21-13-16)20(23-14-22-19)24-11-9-17(25-3)10-12-24/h5-6,13-14,17H,4,9-12H2,1-3H3
InChIKeySZJGAKGGKFUSHE-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.76
Rot. Bonds3

About 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine

4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine (PubChem CID 53341524) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine
PubChem CID53341524
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine
SMILESCCc1ncnc(N2CCC(OC)CC2)c1C#Cc1ccc(C)nc1
InChIInChI=1S/C20H24N4O/c1-4-19-18(8-7-16-6-5-15(2)21-13-16)20(23-14-22-19)24-11-9-17(25-3)10-12-24/h5-6,13-14,17H,4,9-12H2,1-3H3
InChIKeySZJGAKGGKFUSHE-UHFFFAOYSA-N
XLogP2.76
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine 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-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine?
The IUPAC name of 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine (CID 53341524) is 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine.
What is the SMILES notation for 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine?
The canonical SMILES for 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine is CCc1ncnc(N2CCC(OC)CC2)c1C#Cc1ccc(C)nc1.
What is the InChIKey of 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine?
The InChIKey is SZJGAKGGKFUSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-19-18(8-7-16-6-5-15(2)21-13-16)20(23-14-22-19)24-11-9-17(25-3)10-12-24/h5-6,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine?
4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-methoxypiperidin-1-yl)-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidine is sourced from PubChem (CID 53341524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).