1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione

C24H20N2O3 — CID 90362075

IUPAC1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione
SMILESO=c1c(Cc2ccccc2)c(O)n(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C24H20N2O3/c27-22-21(16-18-10-4-1-5-11-18)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-19-12-6-2-7-13-19/h1-15,27H,16-17H2
InChIKeyVHKUSXZLEZAWBK-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.34
Rot. Bonds5

About 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione

1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione (PubChem CID 90362075) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione
PubChem CID90362075
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione
SMILESO=c1c(Cc2ccccc2)c(O)n(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C24H20N2O3/c27-22-21(16-18-10-4-1-5-11-18)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-19-12-6-2-7-13-19/h1-15,27H,16-17H2
InChIKeyVHKUSXZLEZAWBK-UHFFFAOYSA-N
XLogP3.34
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione?
The IUPAC name of 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione (CID 90362075) is 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione?
The canonical SMILES for 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione is O=c1c(Cc2ccccc2)c(O)n(Cc2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione?
The InChIKey is VHKUSXZLEZAWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-22-21(16-18-10-4-1-5-11-18)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-19-12-6-2-7-13-19/h1-15,27H,16-17H2.
What are the key properties of 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione?
1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione has a molecular weight of 384.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 90362075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).