1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione

C13H18N2O3 — CID 106172229

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CCC2=CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N2O3/c1-2-10-11(16)14-13(18)15(12(10)17)8-7-9-5-3-4-6-9/h5,17H,2-4,6-8H2,1H3,(H,14,16,18)
InChIKeyAKDBCKDVZDZVCA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds4

About 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 106172229) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID106172229
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CCC2=CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N2O3/c1-2-10-11(16)14-13(18)15(12(10)17)8-7-9-5-3-4-6-9/h5,17H,2-4,6-8H2,1H3,(H,14,16,18)
InChIKeyAKDBCKDVZDZVCA-UHFFFAOYSA-N
XLogP1.30
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 106172229) is 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(CCC2=CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is AKDBCKDVZDZVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-10-11(16)14-13(18)15(12(10)17)8-7-9-5-3-4-6-9/h5,17H,2-4,6-8H2,1H3,(H,14,16,18).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 250.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 106172229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).