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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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).