2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate

C11H14N2O4 — CID 118938741

IUPAC2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCn1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C11H14N2O4/c1-7(2)10(15)17-5-4-13-9(14)8(3)6-12-11(13)16/h6H,1,4-5H2,2-3H3,(H,12,16)
InChIKeyAYJRBXSAGVUZSJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.04
Rot. Bonds4

About 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate

2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate (PubChem CID 118938741) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate
PubChem CID118938741
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCn1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C11H14N2O4/c1-7(2)10(15)17-5-4-13-9(14)8(3)6-12-11(13)16/h6H,1,4-5H2,2-3H3,(H,12,16)
InChIKeyAYJRBXSAGVUZSJ-UHFFFAOYSA-N
XLogP-0.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)hexyl 2-methylprop-2-enoate
CID 169034471
ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane
CID 145481975
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
CID 88987490
2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
CID 163696593
2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
CID 18314417
2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate
CID 67989846
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
5-acetyl-3-(2-butoxyethyl)-1H-pyrimidine-2,4-dione
CID 80643776
6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
CID 170124459
3-[3-(3-hydroxypropyl)-5-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl 2-methylprop-2-enoate
CID 68566366
2-dimethylarsanylethyl 2-methylprop-2-enoate
CID 87191612

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate (CID 118938741) is 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCn1c(=O)[nH]cc(C)c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is AYJRBXSAGVUZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(2)10(15)17-5-4-13-9(14)8(3)6-12-11(13)16/h6H,1,4-5H2,2-3H3,(H,12,16).
What are the key properties of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate?
2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 238.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118938741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).