(2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate

C9H10N2O4 — CID 169034384

IUPAC(2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-6(2)8(13)15-5-11-4-3-7(12)10-9(11)14/h3-4H,1,5H2,2H3,(H,10,12,14)
InChIKeyRVBTVGRIOTVIJV-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.39
Rot. Bonds3

About (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate

(2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate (PubChem CID 169034384) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
PubChem CID169034384
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-6(2)8(13)15-5-11-4-3-7(12)10-9(11)14/h3-4H,1,5H2,2H3,(H,10,12,14)
InChIKeyRVBTVGRIOTVIJV-UHFFFAOYSA-N
XLogP-0.39
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.39
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

2,4(1H,3H)-Pyrimidinedione, 1-((2-propenyloxy)methyl)-
CID 376599
methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 7536486
1-((Allyloxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 376601
Methyl (E)-3-thymin-1-yl-propenoate
CID 6450954
[(E)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate
CID 6477691
2,2-Dimethyl-propionic acid 4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-but-2-enyl ester
CID 10978846
1-(2-Methacryloyloxy)ethylcarbamoyl-5-fluorouracil
CID 135563881
Tert-butyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-carboxylate
CID 11095914
Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate
CID 376609
methyl (Z)-3-(6-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate
CID 5469128
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate
CID 14477736
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
CID 14477737

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate (CID 169034384) is (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCn1ccc(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The InChIKey is RVBTVGRIOTVIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6(2)8(13)15-5-11-4-3-7(12)10-9(11)14/h3-4H,1,5H2,2H3,(H,10,12,14).
What are the key properties of (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
(2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate has a molecular weight of 210.19 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 169034384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).