5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C11H16N2O3 — CID 54162568

IUPAC5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O3/c1-12-9(14)8(7-5-3-4-6-7)10(15)13(2)11(12)16/h7,14H,3-6H2,1-2H3
InChIKeyOPLLFUUBXDLPOG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.45
Rot. Bonds1

About 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 54162568) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID54162568
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O3/c1-12-9(14)8(7-5-3-4-6-7)10(15)13(2)11(12)16/h7,14H,3-6H2,1-2H3
InChIKeyOPLLFUUBXDLPOG-UHFFFAOYSA-N
XLogP0.45
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 54162568) is 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OPLLFUUBXDLPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-12-9(14)8(7-5-3-4-6-7)10(15)13(2)11(12)16/h7,14H,3-6H2,1-2H3.
What are the key properties of 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 54162568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).