3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate

C22H24N2O4 — CID 102049007

IUPAC3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate
SMILESCCOC(=O)N1C(c2ccccc2)=C(C(=O)OC)C(C)NC1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-4-28-22(26)24-19(16-11-7-5-8-12-16)18(21(25)27-3)15(2)23-20(24)17-13-9-6-10-14-17/h5-15,20,23H,4H2,1-3H3
InChIKeyGQASOGYZVQWORY-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.72
Rot. Bonds4

About 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate

3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate (PubChem CID 102049007) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate
PubChem CID102049007
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate
SMILESCCOC(=O)N1C(c2ccccc2)=C(C(=O)OC)C(C)NC1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-4-28-22(26)24-19(16-11-7-5-8-12-16)18(21(25)27-3)15(2)23-20(24)17-13-9-6-10-14-17/h5-15,20,23H,4H2,1-3H3
InChIKeyGQASOGYZVQWORY-UHFFFAOYSA-N
XLogP3.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate?
The IUPAC name of 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate (CID 102049007) is 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate?
The canonical SMILES for 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate is CCOC(=O)N1C(c2ccccc2)=C(C(=O)OC)C(C)NC1c1ccccc1.
What is the InChIKey of 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate?
The InChIKey is GQASOGYZVQWORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-28-22(26)24-19(16-11-7-5-8-12-16)18(21(25)27-3)15(2)23-20(24)17-13-9-6-10-14-17/h5-15,20,23H,4H2,1-3H3.
What are the key properties of 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate?
3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate is sourced from PubChem (CID 102049007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).