5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione

C25H22N2O5 — CID 11553745

IUPAC5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(Cc3cccc4ccccc34)c(OC)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C25H22N2O5/c1-31-19-12-10-17(11-13-19)22(28)15-27-21(23(32-2)24(29)26-25(27)30)14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14-15H2,1-2H3,(H,26,29,30)
InChIKeyLPIVTDPUNXIVQN-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.18
Rot. Bonds7

About 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione

5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 11553745) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID11553745
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(Cc3cccc4ccccc34)c(OC)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C25H22N2O5/c1-31-19-12-10-17(11-13-19)22(28)15-27-21(23(32-2)24(29)26-25(27)30)14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14-15H2,1-2H3,(H,26,29,30)
InChIKeyLPIVTDPUNXIVQN-UHFFFAOYSA-N
XLogP3.18
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (CID 11553745) is 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is COc1ccc(C(=O)Cn2c(Cc3cccc4ccccc34)c(OC)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is LPIVTDPUNXIVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-31-19-12-10-17(11-13-19)22(28)15-27-21(23(32-2)24(29)26-25(27)30)14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14-15H2,1-2H3,(H,26,29,30).
What are the key properties of 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 430.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11553745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).