1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione

C11H18N2O3 — CID 54554400

IUPAC1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione
SMILESCCCC(C)c1c(O)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-4-6-7(3)8-9(14)12-11(16)13(5-2)10(8)15/h7,15H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyZMDLIFMRWLGEON-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.17
Rot. Bonds4

About 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione

1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione (PubChem CID 54554400) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione
PubChem CID54554400
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione
SMILESCCCC(C)c1c(O)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-4-6-7(3)8-9(14)12-11(16)13(5-2)10(8)15/h7,15H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyZMDLIFMRWLGEON-UHFFFAOYSA-N
XLogP1.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione (CID 54554400) is 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione is CCCC(C)c1c(O)n(CC)c(=O)[nH]c1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione?
The InChIKey is ZMDLIFMRWLGEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-6-7(3)8-9(14)12-11(16)13(5-2)10(8)15/h7,15H,4-6H2,1-3H3,(H,12,14,16).
What are the key properties of 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione?
1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 54554400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).