1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione

C24H28N2O3 — CID 91209277

IUPAC1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)c1ccc(CCn2c(O)cc(=O)n(CCc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-24(2,3)20-11-9-19(10-12-20)14-16-26-22(28)17-21(27)25(23(26)29)15-13-18-7-5-4-6-8-18/h4-12,17,28H,13-16H2,1-3H3
InChIKeySITVCNPHPOFCDZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.50
Rot. Bonds6

About 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione

1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 91209277) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID91209277
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)c1ccc(CCn2c(O)cc(=O)n(CCc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-24(2,3)20-11-9-19(10-12-20)14-16-26-22(28)17-21(27)25(23(26)29)15-13-18-7-5-4-6-8-18/h4-12,17,28H,13-16H2,1-3H3
InChIKeySITVCNPHPOFCDZ-UHFFFAOYSA-N
XLogP3.50
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 91386998
1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione
CID 91417341
3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
CID 91517216
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione
CID 90901042
5-ethyl-6-hydroxy-4-methyl-1-(2-phenylethyl)pyridin-2-one
CID 23338602
3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 123654843
3-methyl-2-oxo-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 50958155
1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione
CID 123775542
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one
CID 71326926
1,3-bis[3-(3,4-dichlorophenyl)-3,3-difluoropropyl]-6-hydroxypyrimidine-2,4-dione
CID 123862604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione (CID 91209277) is 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione is CC(C)(C)c1ccc(CCn2c(O)cc(=O)n(CCc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is SITVCNPHPOFCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(2,3)20-11-9-19(10-12-20)14-16-26-22(28)17-21(27)25(23(26)29)15-13-18-7-5-4-6-8-18/h4-12,17,28H,13-16H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione?
1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91209277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).