[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate

C15H20N2O5 — CID 166946503

IUPAC[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(=O)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N2O5/c1-10(2)14(20)22-8-6-4-5-7-12(18)17-9-11(3)13(19)16-15(17)21/h9H,1,4-8H2,2-3H3,(H,16,19,21)
InChIKeyXIURDHWHQKOKNW-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.16
Rot. Bonds7

About [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate

[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate (PubChem CID 166946503) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
PubChem CID166946503
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(=O)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N2O5/c1-10(2)14(20)22-8-6-4-5-7-12(18)17-9-11(3)13(19)16-15(17)21/h9H,1,4-8H2,2-3H3,(H,16,19,21)
InChIKeyXIURDHWHQKOKNW-UHFFFAOYSA-N
XLogP1.16
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl] hexanoate
CID 6477693
[(E)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl] dodecanoate
CID 6477694
6-(5-Fluoro-2-hydroxy-6-oxo-1,2-dihydropyrimidin-3-yl)hexyl 2-methylprop-2-enoate
CID 166946379
6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
CID 166946428
6-[2,4-dioxo-5-(trifluoromethyl)-1H-pyrimidin-3-yl]hexyl 2-methylprop-2-enoate
CID 166946497
[6-(5-fluoro-3-methyl-2-oxo-4-sulfanyl-4H-pyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
CID 166946506
[6-(5-Fluoro-3-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
CID 166946508
6-(3-Ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
CID 166946656
6-(3-Ethyl-5-fluoro-2,6-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
CID 166946661
[6-(5-Fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
CID 169034314
[6-(5-Fluoro-3-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
CID 169034330
[6-(5-Fluoro-4-oxo-2-sulfanylidenepyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
CID 169034349

Frequently Asked Questions

What is the IUPAC name of [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The IUPAC name of [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate (CID 166946503) is [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCC(=O)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The InChIKey is XIURDHWHQKOKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10(2)14(20)22-8-6-4-5-7-12(18)17-9-11(3)13(19)16-15(17)21/h9H,1,4-8H2,2-3H3,(H,16,19,21).
What are the key properties of [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate?
[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate has a molecular weight of 308.33 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 166946503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).