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

C14H18N4O4 — CID 18140272

IUPAC1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N2CCOC(C)C2)c1=O
InChIInChI=1S/C14H18N4O4/c1-3-16-8-11(6-15)13(20)18(14(16)21)9-12(19)17-4-5-22-10(2)7-17/h8,10H,3-5,7,9H2,1-2H3
InChIKeyVMAYSQNRKXBPRD-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.85
Rot. Bonds3

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

1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 18140272) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID18140272
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N2CCOC(C)C2)c1=O
InChIInChI=1S/C14H18N4O4/c1-3-16-8-11(6-15)13(20)18(14(16)21)9-12(19)17-4-5-22-10(2)7-17/h8,10H,3-5,7,9H2,1-2H3
InChIKeyVMAYSQNRKXBPRD-UHFFFAOYSA-N
XLogP-0.85
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 18140272) is 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile is CCn1cc(C#N)c(=O)n(CC(=O)N2CCOC(C)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is VMAYSQNRKXBPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-3-16-8-11(6-15)13(20)18(14(16)21)9-12(19)17-4-5-22-10(2)7-17/h8,10H,3-5,7,9H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 306.32 g/mol, XLogP of -0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 18140272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).