1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione

C28H22N2O3 — CID 123545313

IUPAC1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione
SMILESO=c1c(Cc2ccc3ccccc3c2)c(O)n(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C28H22N2O3/c31-26-25(18-21-15-16-22-11-7-8-12-23(22)17-21)27(32)30(24-13-5-2-6-14-24)28(33)29(26)19-20-9-3-1-4-10-20/h1-17,31H,18-19H2
InChIKeyJRQGZRGXCATQDH-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.50
Rot. Bonds5

About 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione

1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione (PubChem CID 123545313) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione
PubChem CID123545313
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione
SMILESO=c1c(Cc2ccc3ccccc3c2)c(O)n(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C28H22N2O3/c31-26-25(18-21-15-16-22-11-7-8-12-23(22)17-21)27(32)30(24-13-5-2-6-14-24)28(33)29(26)19-20-9-3-1-4-10-20/h1-17,31H,18-19H2
InChIKeyJRQGZRGXCATQDH-UHFFFAOYSA-N
XLogP4.50
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione (CID 123545313) is 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione is O=c1c(Cc2ccc3ccccc3c2)c(O)n(Cc2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione?
The InChIKey is JRQGZRGXCATQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c31-26-25(18-21-15-16-22-11-7-8-12-23(22)17-21)27(32)30(24-13-5-2-6-14-24)28(33)29(26)19-20-9-3-1-4-10-20/h1-17,31H,18-19H2.
What are the key properties of 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione?
1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione has a molecular weight of 434.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 123545313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).