ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

C10H14N2O4 — CID 11775861

IUPACethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-3-16-8(13)4-5-12-6-7(2)9(14)11-10(12)15/h6H,3-5H2,1-2H3,(H,11,14,15)
InChIKeyHLCZCOBLTVDZNE-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.20
Rot. Bonds4

About ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 11775861) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID11775861
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-3-16-8(13)4-5-12-6-7(2)9(14)11-10(12)15/h6H,3-5H2,1-2H3,(H,11,14,15)
InChIKeyHLCZCOBLTVDZNE-UHFFFAOYSA-N
XLogP-0.20
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 755455
5-Carbethoxyuracil
CID 101411
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
Ethyl 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 21582820
methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 7536486
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 435921
Acyclo-thymidine
CID 451449
methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
CID 901779
Methyl (E)-3-thymin-1-yl-propenoate
CID 6450954
Methyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543404
Ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543635
Propyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543758

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (CID 11775861) is ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is CCOC(=O)CCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is HLCZCOBLTVDZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-16-8(13)4-5-12-6-7(2)9(14)11-10(12)15/h6H,3-5H2,1-2H3,(H,11,14,15).
What are the key properties of ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 226.23 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 11775861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).