3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one

C16H21N5O4 — CID 91950891

IUPAC3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CC(C)OC(C)C3)c2=O)n1
InChIInChI=1S/C16H21N5O4/c1-10-7-21(8-11(2)24-10)14(22)4-5-20-9-17-6-13(16(20)23)15-18-12(3)19-25-15/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyZUWZUWFYQLVNBV-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.63
Rot. Bonds4

About 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one

3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one (PubChem CID 91950891) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
PubChem CID91950891
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CC(C)OC(C)C3)c2=O)n1
InChIInChI=1S/C16H21N5O4/c1-10-7-21(8-11(2)24-10)14(22)4-5-20-9-17-6-13(16(20)23)15-18-12(3)19-25-15/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyZUWZUWFYQLVNBV-UHFFFAOYSA-N
XLogP0.63
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The IUPAC name of 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one (CID 91950891) is 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The canonical SMILES for 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one is Cc1noc(-c2cncn(CCC(=O)N3CC(C)OC(C)C3)c2=O)n1.
What is the InChIKey of 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The InChIKey is ZUWZUWFYQLVNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-10-7-21(8-11(2)24-10)14(22)4-5-20-9-17-6-13(16(20)23)15-18-12(3)19-25-15/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one has a molecular weight of 347.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one is sourced from PubChem (CID 91950891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).