1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C14H21N3O3 — CID 115948940

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C2CCN3CCCC3C2)c(=O)[nH]c1=O
InChIInChI=1S/C14H21N3O3/c1-2-11-12(18)15-14(20)17(13(11)19)10-5-7-16-6-3-4-9(16)8-10/h9-10,19H,2-8H2,1H3,(H,15,18,20)
InChIKeyPMPWNJVQRDJZSP-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.60
Rot. Bonds2

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 115948940) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID115948940
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C2CCN3CCCC3C2)c(=O)[nH]c1=O
InChIInChI=1S/C14H21N3O3/c1-2-11-12(18)15-14(20)17(13(11)19)10-5-7-16-6-3-4-9(16)8-10/h9-10,19H,2-8H2,1H3,(H,15,18,20)
InChIKeyPMPWNJVQRDJZSP-UHFFFAOYSA-N
XLogP0.60
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione with MolForge

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Related Compounds

5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione
CID 112599829
5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
CID 114542387
1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599467
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599825
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
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
methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate
CID 103545863
5-ethyl-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601046

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 115948940) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(C2CCN3CCCC3C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is PMPWNJVQRDJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-11-12(18)15-14(20)17(13(11)19)10-5-7-16-6-3-4-9(16)8-10/h9-10,19H,2-8H2,1H3,(H,15,18,20).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115948940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).