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

C12H16N4O4 — CID 18274578

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)NCCOC)c1=O
InChIInChI=1S/C12H16N4O4/c1-3-15-7-9(6-13)11(18)16(12(15)19)8-10(17)14-4-5-20-2/h7H,3-5,8H2,1-2H3,(H,14,17)
InChIKeyDXMDUVSGRIPFMR-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.34
Rot. Bonds6

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

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 18274578) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID18274578
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)NCCOC)c1=O
InChIInChI=1S/C12H16N4O4/c1-3-15-7-9(6-13)11(18)16(12(15)19)8-10(17)14-4-5-20-2/h7H,3-5,8H2,1-2H3,(H,14,17)
InChIKeyDXMDUVSGRIPFMR-UHFFFAOYSA-N
XLogP-1.34
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (CID 18274578) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is CCn1cc(C#N)c(=O)n(CC(=O)NCCOC)c1=O.
What is the InChIKey of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is DXMDUVSGRIPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-3-15-7-9(6-13)11(18)16(12(15)19)8-10(17)14-4-5-20-2/h7H,3-5,8H2,1-2H3,(H,14,17).
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 280.28 g/mol, XLogP of -1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 18274578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).