3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile

C15H20N4O4 — CID 18140228

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N2CC(C)OC(C)C2)c1=O
InChIInChI=1S/C15H20N4O4/c1-4-17-8-12(5-16)14(21)19(15(17)22)9-13(20)18-6-10(2)23-11(3)7-18/h8,10-11H,4,6-7,9H2,1-3H3
InChIKeyYTXKZKSFFVECCJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.46
Rot. Bonds3

About 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 18140228) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID18140228
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N2CC(C)OC(C)C2)c1=O
InChIInChI=1S/C15H20N4O4/c1-4-17-8-12(5-16)14(21)19(15(17)22)9-13(20)18-6-10(2)23-11(3)7-18/h8,10-11H,4,6-7,9H2,1-3H3
InChIKeyYTXKZKSFFVECCJ-UHFFFAOYSA-N
XLogP-0.46
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile (CID 18140228) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile is CCn1cc(C#N)c(=O)n(CC(=O)N2CC(C)OC(C)C2)c1=O.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is YTXKZKSFFVECCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-4-17-8-12(5-16)14(21)19(15(17)22)9-13(20)18-6-10(2)23-11(3)7-18/h8,10-11H,4,6-7,9H2,1-3H3.
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 320.35 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 18140228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).