5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione

C13H21N3O3 — CID 112599829

IUPAC5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C2CCCN(CC)C2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-10-11(17)14-13(19)16(12(10)18)9-6-5-7-15(4-2)8-9/h9,18H,3-8H2,1-2H3,(H,14,17,19)
InChIKeyVCWYPDARYPLMBB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.46
Rot. Bonds3

About 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione

5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599829) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione
PubChem CID112599829
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C2CCCN(CC)C2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-10-11(17)14-13(19)16(12(10)18)9-6-5-7-15(4-2)8-9/h9,18H,3-8H2,1-2H3,(H,14,17,19)
InChIKeyVCWYPDARYPLMBB-UHFFFAOYSA-N
XLogP0.46
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599825
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948940
1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599467
5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
CID 114542387
5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione
CID 115947730
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
2-[1-(1-ethylpiperidin-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 61478398
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione (CID 112599829) is 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(C2CCCN(CC)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is VCWYPDARYPLMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-10-11(17)14-13(19)16(12(10)18)9-6-5-7-15(4-2)8-9/h9,18H,3-8H2,1-2H3,(H,14,17,19).
What are the key properties of 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione?
5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).