methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate

C10H14N2O5 — CID 112599658

IUPACmethyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCc1c(O)n(CCC(=O)OC)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-3-6-8(14)11-10(16)12(9(6)15)5-4-7(13)17-2/h15H,3-5H2,1-2H3,(H,11,14,16)
InChIKeyKFDJJTPGVZMWIE-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.63
Rot. Bonds4

About methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate

methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 112599658) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID112599658
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namemethyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCc1c(O)n(CCC(=O)OC)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-3-6-8(14)11-10(16)12(9(6)15)5-4-7(13)17-2/h15H,3-5H2,1-2H3,(H,11,14,16)
InChIKeyKFDJJTPGVZMWIE-UHFFFAOYSA-N
XLogP-0.63
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
CID 115948702
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
methyl 3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanoate
CID 66424752
5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106946
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946249

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate (CID 112599658) is methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate is CCc1c(O)n(CCC(=O)OC)c(=O)[nH]c1=O.
What is the InChIKey of methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is KFDJJTPGVZMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-3-6-8(14)11-10(16)12(9(6)15)5-4-7(13)17-2/h15H,3-5H2,1-2H3,(H,11,14,16).
What are the key properties of methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate?
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 242.23 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 112599658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).