dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate

C20H16N2O6 — CID 134839740

IUPACdimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H16N2O6/c1-27-18(24)15-16(19(25)28-2)21(13-9-5-3-6-10-13)20(26)22(17(15)23)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyFQKDLZSMJVMPIJ-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.56
Rot. Bonds4

About dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate

dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate (PubChem CID 134839740) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate
PubChem CID134839740
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Namedimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H16N2O6/c1-27-18(24)15-16(19(25)28-2)21(13-9-5-3-6-10-13)20(26)22(17(15)23)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyFQKDLZSMJVMPIJ-UHFFFAOYSA-N
XLogP1.56
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 130236105
dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate
CID 10733861
methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
methyl 4-amino-6-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207169
tetramethyl 1-(2-chlorophenyl)pyrrole-2,3,4,5-tetracarboxylate
CID 44632136
methyl 8-amino-3-methyl-1-oxo-2-phenylisoquinoline-4-carboxylate
CID 67132488
methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207377
dimethyl 1-(3-methylphenyl)-4,5-diphenylpyrrole-2,3-dicarboxylate
CID 122397153
dimethyl 4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
CID 102138310
methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
CID 22769956
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate (CID 134839740) is dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate is COC(=O)c1c(C(=O)OC)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate?
The InChIKey is FQKDLZSMJVMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-27-18(24)15-16(19(25)28-2)21(13-9-5-3-6-10-13)20(26)22(17(15)23)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate?
dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate has a molecular weight of 380.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate is sourced from PubChem (CID 134839740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).