5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione

C14H16N2O3 — CID 112598276

IUPAC5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-3-11-12(17)15-14(19)16(13(11)18)9(2)10-7-5-4-6-8-10/h4-9,18H,3H2,1-2H3,(H,15,17,19)
InChIKeyKXUBKOWIIHSPQI-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.41
Rot. Bonds3

About 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione (PubChem CID 112598276) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
PubChem CID112598276
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-3-11-12(17)15-14(19)16(13(11)18)9(2)10-7-5-4-6-8-10/h4-9,18H,3H2,1-2H3,(H,15,17,19)
InChIKeyKXUBKOWIIHSPQI-UHFFFAOYSA-N
XLogP1.41
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione (CID 112598276) is 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione is CCc1c(O)n(C(C)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is KXUBKOWIIHSPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-11-12(17)15-14(19)16(13(11)18)9(2)10-7-5-4-6-8-10/h4-9,18H,3H2,1-2H3,(H,15,17,19).
What are the key properties of 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112598276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).