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

C15H21FN6O — CID 133497547

IUPAC5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1ncnc(N2CCCC(c3nc(N(C)C)no3)C2)c1F
InChIInChI=1S/C15H21FN6O/c1-4-11-12(16)13(18-9-17-11)22-7-5-6-10(8-22)14-19-15(20-23-14)21(2)3/h9-10H,4-8H2,1-3H3
InChIKeyUTORMEJBVYOVTA-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.01
Rot. Bonds4

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

5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 133497547) has the molecular formula C15H21FN6O and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID133497547
Molecular FormulaC15H21FN6O
Molecular Weight320.37 g/mol
Exact Mass320.18
IUPAC Name5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1ncnc(N2CCCC(c3nc(N(C)C)no3)C2)c1F
InChIInChI=1S/C15H21FN6O/c1-4-11-12(16)13(18-9-17-11)22-7-5-6-10(8-22)14-19-15(20-23-14)21(2)3/h9-10H,4-8H2,1-3H3
InChIKeyUTORMEJBVYOVTA-UHFFFAOYSA-N
XLogP2.01
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 133497547) is 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CCc1ncnc(N2CCCC(c3nc(N(C)C)no3)C2)c1F.
What is the InChIKey of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is UTORMEJBVYOVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O/c1-4-11-12(16)13(18-9-17-11)22-7-5-6-10(8-22)14-19-15(20-23-14)21(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 320.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133497547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).