5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one

C17H24N6O3 — CID 91950904

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one
SMILESCCCN1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C17H24N6O3/c1-3-5-21-7-9-22(10-8-21)15(24)4-6-23-12-18-11-14(17(23)25)16-19-13(2)20-26-16/h11-12H,3-10H2,1-2H3
InChIKeyKBTRTEMASXEDEZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.55
Rot. Bonds6

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one

5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one (PubChem CID 91950904) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one
PubChem CID91950904
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one
SMILESCCCN1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C17H24N6O3/c1-3-5-21-7-9-22(10-8-21)15(24)4-6-23-12-18-11-14(17(23)25)16-19-13(2)20-26-16/h11-12H,3-10H2,1-2H3
InChIKeyKBTRTEMASXEDEZ-UHFFFAOYSA-N
XLogP0.55
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one (CID 91950904) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one is CCCN1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one?
The InChIKey is KBTRTEMASXEDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-3-5-21-7-9-22(10-8-21)15(24)4-6-23-12-18-11-14(17(23)25)16-19-13(2)20-26-16/h11-12H,3-10H2,1-2H3.
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one has a molecular weight of 360.42 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one is sourced from PubChem (CID 91950904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).