3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione

C13H16N4O3 — CID 63811888

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nc(C3CC3)no2)c1=O
InChIInChI=1S/C13H16N4O3/c1-2-6-16-7-5-11(18)17(13(16)19)8-10-14-12(15-20-10)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyUVGNFBGFLBODSE-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.73
Rot. Bonds5

About 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63811888) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID63811888
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nc(C3CC3)no2)c1=O
InChIInChI=1S/C13H16N4O3/c1-2-6-16-7-5-11(18)17(13(16)19)8-10-14-12(15-20-10)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyUVGNFBGFLBODSE-UHFFFAOYSA-N
XLogP0.73
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione (CID 63811888) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2nc(C3CC3)no2)c1=O.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is UVGNFBGFLBODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-6-16-7-5-11(18)17(13(16)19)8-10-14-12(15-20-10)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 276.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63811888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).