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

C13H20N2O5 — CID 115947446

IUPACmethyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
SMILESCCc1c(O)n(C(CC(C)C)C(=O)OC)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O5/c1-5-8-10(16)14-13(19)15(11(8)17)9(6-7(2)3)12(18)20-4/h7,9,17H,5-6H2,1-4H3,(H,14,16,19)
InChIKeyWHXVGIURTGRLPC-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.56
Rot. Bonds5

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

methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate (PubChem CID 115947446) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
PubChem CID115947446
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namemethyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
SMILESCCc1c(O)n(C(CC(C)C)C(=O)OC)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O5/c1-5-8-10(16)14-13(19)15(11(8)17)9(6-7(2)3)12(18)20-4/h7,9,17H,5-6H2,1-4H3,(H,14,16,19)
InChIKeyWHXVGIURTGRLPC-UHFFFAOYSA-N
XLogP0.56
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate with MolForge

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Related Compounds

methyl (2S)-4-methyl-2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)pentanoate
CID 100968870
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599391
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
CID 112600250
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
CID 115948535
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947480
1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946249
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599467

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate?
The IUPAC name of methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate (CID 115947446) is methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate?
The canonical SMILES for methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate is CCc1c(O)n(C(CC(C)C)C(=O)OC)c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate?
The InChIKey is WHXVGIURTGRLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-5-8-10(16)14-13(19)15(11(8)17)9(6-7(2)3)12(18)20-4/h7,9,17H,5-6H2,1-4H3,(H,14,16,19).
What are the key properties of methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate?
methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate has a molecular weight of 284.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate is sourced from PubChem (CID 115947446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).