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

C12H12N2O3 — CID 122189435

IUPAC5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ccccc2)cc1O
InChIInChI=1S/C12H12N2O3/c15-10-8-14(12(17)13-11(10)16)7-6-9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,13,16,17)
InChIKeyQLECPKDOBXXLQR-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.48
Rot. Bonds3

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

5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 122189435) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID122189435
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ccccc2)cc1O
InChIInChI=1S/C12H12N2O3/c15-10-8-14(12(17)13-11(10)16)7-6-9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,13,16,17)
InChIKeyQLECPKDOBXXLQR-UHFFFAOYSA-N
XLogP0.48
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 122189435) is 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCc2ccccc2)cc1O.
What is the InChIKey of 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is QLECPKDOBXXLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-10-8-14(12(17)13-11(10)16)7-6-9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,13,16,17).
What are the key properties of 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 122189435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).