1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione

C13H22N2O4 — CID 114944945

IUPAC1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(O)n(CC(C)(C)OCC)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N2O4/c1-5-7-9-10(16)14-12(18)15(11(9)17)8-13(3,4)19-6-2/h17H,5-8H2,1-4H3,(H,14,16,18)
InChIKeyGMLGRUDLUAFKEJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds6

About 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione

1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione (PubChem CID 114944945) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione
PubChem CID114944945
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(O)n(CC(C)(C)OCC)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N2O4/c1-5-7-9-10(16)14-12(18)15(11(9)17)8-13(3,4)19-6-2/h17H,5-8H2,1-4H3,(H,14,16,18)
InChIKeyGMLGRUDLUAFKEJ-UHFFFAOYSA-N
XLogP1.01
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide
CID 106276852
6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114102672
6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propylpyrimidine-2,4-dione
CID 106377409
6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
CID 106040512
6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114958046
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione (CID 114944945) is 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione is CCCc1c(O)n(CC(C)(C)OCC)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione?
The InChIKey is GMLGRUDLUAFKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-5-7-9-10(16)14-12(18)15(11(9)17)8-13(3,4)19-6-2/h17H,5-8H2,1-4H3,(H,14,16,18).
What are the key properties of 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione?
1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 114944945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).