2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine

C17H23FN6O — CID 72856051

IUPAC2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(N2CCC(Cc3noc(C4CC4)n3)CC2)ncc1F
InChIInChI=1S/C17H23FN6O/c1-23(2)15-13(18)10-19-17(21-15)24-7-5-11(6-8-24)9-14-20-16(25-22-14)12-3-4-12/h10-12H,3-9H2,1-2H3
InChIKeyYAYOJOOPTWORHY-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.40
Rot. Bonds5

About 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine

2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine (PubChem CID 72856051) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
PubChem CID72856051
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(N2CCC(Cc3noc(C4CC4)n3)CC2)ncc1F
InChIInChI=1S/C17H23FN6O/c1-23(2)15-13(18)10-19-17(21-15)24-7-5-11(6-8-24)9-14-20-16(25-22-14)12-3-4-12/h10-12H,3-9H2,1-2H3
InChIKeyYAYOJOOPTWORHY-UHFFFAOYSA-N
XLogP2.40
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-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 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine (CID 72856051) is 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine is CN(C)c1nc(N2CCC(Cc3noc(C4CC4)n3)CC2)ncc1F.
What is the InChIKey of 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The InChIKey is YAYOJOOPTWORHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-23(2)15-13(18)10-19-17(21-15)24-7-5-11(6-8-24)9-14-20-16(25-22-14)12-3-4-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine has a molecular weight of 346.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 72856051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).