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

C11H14N4O3 — CID 18140232

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N(C)C)c1=O
InChIInChI=1S/C11H14N4O3/c1-4-14-6-8(5-12)10(17)15(11(14)18)7-9(16)13(2)3/h6H,4,7H2,1-3H3
InChIKeyMSDPWZKWEAVZKL-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.01
Rot. Bonds3

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

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide (PubChem CID 18140232) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
PubChem CID18140232
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N(C)C)c1=O
InChIInChI=1S/C11H14N4O3/c1-4-14-6-8(5-12)10(17)15(11(14)18)7-9(16)13(2)3/h6H,4,7H2,1-3H3
InChIKeyMSDPWZKWEAVZKL-UHFFFAOYSA-N
XLogP-1.01
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide 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-dimethylacetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide (CID 18140232) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide is CCn1cc(C#N)c(=O)n(CC(=O)N(C)C)c1=O.
What is the InChIKey of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is MSDPWZKWEAVZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-4-14-6-8(5-12)10(17)15(11(14)18)7-9(16)13(2)3/h6H,4,7H2,1-3H3.
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 250.26 g/mol, XLogP of -1.01, 3 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-dimethylacetamide is sourced from PubChem (CID 18140232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).