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

C27H26N2O3 — CID 91417341

IUPAC1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione
SMILESCC(C)(C)c1ccc(Cn2c(O)cc(=O)n(-c3ccccc3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C27H26N2O3/c1-27(2,3)21-15-13-19(14-16-21)18-28-24(30)17-25(31)29(26(28)32)23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-17,30H,18H2,1-3H3
InChIKeyJSYPIDJQDSBJFW-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.72
Rot. Bonds4

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

1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione (PubChem CID 91417341) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione
PubChem CID91417341
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione
SMILESCC(C)(C)c1ccc(Cn2c(O)cc(=O)n(-c3ccccc3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C27H26N2O3/c1-27(2,3)21-15-13-19(14-16-21)18-28-24(30)17-25(31)29(26(28)32)23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-17,30H,18H2,1-3H3
InChIKeyJSYPIDJQDSBJFW-UHFFFAOYSA-N
XLogP4.72
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione (CID 91417341) is 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione is CC(C)(C)c1ccc(Cn2c(O)cc(=O)n(-c3ccccc3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione?
The InChIKey is JSYPIDJQDSBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-27(2,3)21-15-13-19(14-16-21)18-28-24(30)17-25(31)29(26(28)32)23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-17,30H,18H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione?
1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione has a molecular weight of 426.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-(2-phenylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91417341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).