2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide

C13H18N4O3 — CID 18140234

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O
InChIInChI=1S/C13H18N4O3/c1-4-15(5-2)11(18)9-17-12(19)10(7-14)8-16(6-3)13(17)20/h8H,4-6,9H2,1-3H3
InChIKeyKBWFCNZIAFNRTN-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.23
Rot. Bonds5

About 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide (PubChem CID 18140234) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide
PubChem CID18140234
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O
InChIInChI=1S/C13H18N4O3/c1-4-15(5-2)11(18)9-17-12(19)10(7-14)8-16(6-3)13(17)20/h8H,4-6,9H2,1-3H3
InChIKeyKBWFCNZIAFNRTN-UHFFFAOYSA-N
XLogP-0.23
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide (CID 18140234) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O.
What is the InChIKey of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide?
The InChIKey is KBWFCNZIAFNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-4-15(5-2)11(18)9-17-12(19)10(7-14)8-16(6-3)13(17)20/h8H,4-6,9H2,1-3H3.
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide has a molecular weight of 278.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 18140234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).