4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C13H18N4O3 — CID 71898854

IUPAC4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCC1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1
InChIInChI=1S/C13H18N4O3/c1-4-9-8-17(5-6-20-9)11-10(7-14)12(18)16(3)13(19)15(11)2/h9H,4-6,8H2,1-3H3
InChIKeyORALJNCYPUEMTK-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.43
Rot. Bonds2

About 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 71898854) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID71898854
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCC1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1
InChIInChI=1S/C13H18N4O3/c1-4-9-8-17(5-6-20-9)11-10(7-14)12(18)16(3)13(19)15(11)2/h9H,4-6,8H2,1-3H3
InChIKeyORALJNCYPUEMTK-UHFFFAOYSA-N
XLogP-0.43
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 71898854) is 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CCC1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is ORALJNCYPUEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-4-9-8-17(5-6-20-9)11-10(7-14)12(18)16(3)13(19)15(11)2/h9H,4-6,8H2,1-3H3.
What are the key properties of 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 71898854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).