[6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate

C15H20N2O5 — CID 169034482

IUPAC[6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(=O)n1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C15H20N2O5/c1-10(2)14(20)22-8-6-4-5-7-12(18)17-13(19)11(3)9-16-15(17)21/h9H,1,4-8H2,2-3H3,(H,16,21)
InChIKeyFUVYVGKBJOPYFR-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.16
Rot. Bonds7

About [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate

[6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate (PubChem CID 169034482) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate
PubChem CID169034482
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(=O)n1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C15H20N2O5/c1-10(2)14(20)22-8-6-4-5-7-12(18)17-13(19)11(3)9-16-15(17)21/h9H,1,4-8H2,2-3H3,(H,16,21)
InChIKeyFUVYVGKBJOPYFR-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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Frequently Asked Questions

What is the IUPAC name of [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The IUPAC name of [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate (CID 169034482) is [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCC(=O)n1c(=O)[nH]cc(C)c1=O.
What is the InChIKey of [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The InChIKey is FUVYVGKBJOPYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10(2)14(20)22-8-6-4-5-7-12(18)17-13(19)11(3)9-16-15(17)21/h9H,1,4-8H2,2-3H3,(H,16,21).
What are the key properties of [6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate?
[6-(5-methyl-2,4-dioxo-1H-pyrimidin-3-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-dioxo-1H-pyrimidin-3-yl)-6-oxohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 169034482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).