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

C14H22N2O3 — CID 106006233

IUPAC1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CCCC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-2-11-12(17)15-14(19)16(13(11)18)9-5-8-10-6-3-4-7-10/h10,18H,2-9H2,1H3,(H,15,17,19)
InChIKeyORXLCGZUDWTGJT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.77
Rot. Bonds5

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

1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 106006233) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID106006233
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CCCC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-2-11-12(17)15-14(19)16(13(11)18)9-5-8-10-6-3-4-7-10/h10,18H,2-9H2,1H3,(H,15,17,19)
InChIKeyORXLCGZUDWTGJT-UHFFFAOYSA-N
XLogP1.77
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
CID 115948702
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
CID 112601402
5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106946

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 106006233) is 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(CCCC2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ORXLCGZUDWTGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-11-12(17)15-14(19)16(13(11)18)9-5-8-10-6-3-4-7-10/h10,18H,2-9H2,1H3,(H,15,17,19).
What are the key properties of 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 106006233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).