6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid

C20H16N2O6 — CID 141371447

IUPAC6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(C(=O)c2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H16N2O6/c23-17(14-9-5-2-6-10-14)16-15(19(25)26)18(24)21-20(27)22(16)12-28-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,25,26)(H,21,24,27)
InChIKeyNFWPBFYCEGXCBW-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.64
Rot. Bonds7

About 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid

6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid (PubChem CID 141371447) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid
PubChem CID141371447
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(C(=O)c2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H16N2O6/c23-17(14-9-5-2-6-10-14)16-15(19(25)26)18(24)21-20(27)22(16)12-28-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,25,26)(H,21,24,27)
InChIKeyNFWPBFYCEGXCBW-UHFFFAOYSA-N
XLogP1.64
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid 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 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid (CID 141371447) is 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid is O=C(O)c1c(C(=O)c2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid?
The InChIKey is NFWPBFYCEGXCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c23-17(14-9-5-2-6-10-14)16-15(19(25)26)18(24)21-20(27)22(16)12-28-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,25,26)(H,21,24,27).
What are the key properties of 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid?
6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid has a molecular weight of 380.36 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 141371447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).