5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one

C15H20N6O3 — CID 91950882

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCN(C)CC3)c2=O)n1
InChIInChI=1S/C15H20N6O3/c1-11-17-14(24-18-11)12-9-16-10-21(15(12)23)4-3-13(22)20-7-5-19(2)6-8-20/h9-10H,3-8H2,1-2H3
InChIKeyJXZDGJVWZVMJOQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.23
Rot. Bonds4

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one

5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one (PubChem CID 91950882) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one
PubChem CID91950882
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCN(C)CC3)c2=O)n1
InChIInChI=1S/C15H20N6O3/c1-11-17-14(24-18-11)12-9-16-10-21(15(12)23)4-3-13(22)20-7-5-19(2)6-8-20/h9-10H,3-8H2,1-2H3
InChIKeyJXZDGJVWZVMJOQ-UHFFFAOYSA-N
XLogP-0.23
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.23
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-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one (CID 91950882) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one is Cc1noc(-c2cncn(CCC(=O)N3CCN(C)CC3)c2=O)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one?
The InChIKey is JXZDGJVWZVMJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-11-17-14(24-18-11)12-9-16-10-21(15(12)23)4-3-13(22)20-7-5-19(2)6-8-20/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one has a molecular weight of 332.36 g/mol, XLogP of -0.23, 4 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-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one is sourced from PubChem (CID 91950882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).