3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C14H19N5O — CID 136568517

IUPAC3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1cc(N2CCCC2c2ncon2)nc(CC)n1
InChIInChI=1S/C14H19N5O/c1-3-10-8-13(17-12(4-2)16-10)19-7-5-6-11(19)14-15-9-20-18-14/h8-9,11H,3-7H2,1-2H3
InChIKeyBWVWXSHNKYOVDG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.33
Rot. Bonds4

About 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole

3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 136568517) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID136568517
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1cc(N2CCCC2c2ncon2)nc(CC)n1
InChIInChI=1S/C14H19N5O/c1-3-10-8-13(17-12(4-2)16-10)19-7-5-6-11(19)14-15-9-20-18-14/h8-9,11H,3-7H2,1-2H3
InChIKeyBWVWXSHNKYOVDG-UHFFFAOYSA-N
XLogP2.33
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 136568517) is 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole is CCc1cc(N2CCCC2c2ncon2)nc(CC)n1.
What is the InChIKey of 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is BWVWXSHNKYOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-10-8-13(17-12(4-2)16-10)19-7-5-6-11(19)14-15-9-20-18-14/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 136568517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).