[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate

C14H20N2O4 — CID 10978846

IUPAC[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate
SMILESCc1cn(C/C=C\COC(=O)C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-10-9-16(13(19)15-11(10)17)7-5-6-8-20-12(18)14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,15,17,19)/b6-5-
InChIKeyCGHDSAIDSNNGFT-WAYWQWQTSA-N
MW280.32 g/mol
LogP0.99
Rot. Bonds4

About [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate

[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate (PubChem CID 10978846) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate
PubChem CID10978846
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate
SMILESCc1cn(C/C=C\COC(=O)C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-10-9-16(13(19)15-11(10)17)7-5-6-8-20-12(18)14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,15,17,19)/b6-5-
InChIKeyCGHDSAIDSNNGFT-WAYWQWQTSA-N
XLogP0.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-diphenylacetate
CID 11825312
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358
1-[(Z)-3-[hydroxymethyl(dimethyl)silyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
CID 15405094
ethyl (Z)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083718
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
[2,2-dimethylpropanoyloxymethoxy-[(Z)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphoryl]oxymethyl 3,3-dimethylbutanoate
CID 56944908
N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 58903954
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
2-[(2-aminophenyl)sulfonyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]amino]ethyl 2,2-dimethylpropanoate
CID 44579016
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione
CID 70964470
[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7289782

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate (CID 10978846) is [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate is Cc1cn(C/C=C\COC(=O)C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate?
The InChIKey is CGHDSAIDSNNGFT-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-9-16(13(19)15-11(10)17)7-5-6-8-20-12(18)14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,15,17,19)/b6-5-.
What are the key properties of [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate?
[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate has a molecular weight of 280.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10978846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).