6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

C26H21F3N2O3 — CID 123480849

IUPAC6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1ccc(Cc2c(O)n(Cc3ccc(C(F)(F)F)cc3)c(=O)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H21F3N2O3/c1-17-7-9-18(10-8-17)15-22-23(32)30(16-19-11-13-20(14-12-19)26(27,28)29)25(34)31(24(22)33)21-5-3-2-4-6-21/h2-14,32H,15-16H2,1H3
InChIKeyCVCBQRDUYCKGKA-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.67
Rot. Bonds5

About 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 123480849) has the molecular formula C26H21F3N2O3 and a molecular weight of 466.46 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID123480849
Molecular FormulaC26H21F3N2O3
Molecular Weight466.46 g/mol
Exact Mass466.15
IUPAC Name6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1ccc(Cc2c(O)n(Cc3ccc(C(F)(F)F)cc3)c(=O)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H21F3N2O3/c1-17-7-9-18(10-8-17)15-22-23(32)30(16-19-11-13-20(14-12-19)26(27,28)29)25(34)31(24(22)33)21-5-3-2-4-6-21/h2-14,32H,15-16H2,1H3
InChIKeyCVCBQRDUYCKGKA-UHFFFAOYSA-N
XLogP4.67
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (CID 123480849) is 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is Cc1ccc(Cc2c(O)n(Cc3ccc(C(F)(F)F)cc3)c(=O)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is CVCBQRDUYCKGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O3/c1-17-7-9-18(10-8-17)15-22-23(32)30(16-19-11-13-20(14-12-19)26(27,28)29)25(34)31(24(22)33)21-5-3-2-4-6-21/h2-14,32H,15-16H2,1H3.
What are the key properties of 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 466.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 123480849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).