6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine

C17H26N6O — CID 50970575

IUPAC6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2nnc(CC)o2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H26N6O/c1-4-13-11-14(19-17(18-13)23-9-7-6-8-10-23)22(3)12-16-21-20-15(5-2)24-16/h11H,4-10,12H2,1-3H3
InChIKeyACGQOXHPQCNZRB-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.61
Rot. Bonds6

About 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine

6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 50970575) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID50970575
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2nnc(CC)o2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H26N6O/c1-4-13-11-14(19-17(18-13)23-9-7-6-8-10-23)22(3)12-16-21-20-15(5-2)24-16/h11H,4-10,12H2,1-3H3
InChIKeyACGQOXHPQCNZRB-UHFFFAOYSA-N
XLogP2.61
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-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 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine (CID 50970575) is 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine is CCc1cc(N(C)Cc2nnc(CC)o2)nc(N2CCCCC2)n1.
What is the InChIKey of 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ACGQOXHPQCNZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-13-11-14(19-17(18-13)23-9-7-6-8-10-23)22(3)12-16-21-20-15(5-2)24-16/h11H,4-10,12H2,1-3H3.
What are the key properties of 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine?
6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50970575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).