dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate

C20H20N2O4 — CID 73345914

IUPACdimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccccc2)CN(c2ccccc2)C1
InChIInChI=1S/C20H20N2O4/c1-25-19(23)17-13-21(15-9-5-3-6-10-15)14-22(18(17)20(24)26-2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyFOAAVDIOVZZVMO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.57
Rot. Bonds4

About dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate

dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate (PubChem CID 73345914) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate
PubChem CID73345914
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namedimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccccc2)CN(c2ccccc2)C1
InChIInChI=1S/C20H20N2O4/c1-25-19(23)17-13-21(15-9-5-3-6-10-15)14-22(18(17)20(24)26-2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyFOAAVDIOVZZVMO-UHFFFAOYSA-N
XLogP2.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate?
The IUPAC name of dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate (CID 73345914) is dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate?
The canonical SMILES for dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccccc2)CN(c2ccccc2)C1.
What is the InChIKey of dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate?
The InChIKey is FOAAVDIOVZZVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-19(23)17-13-21(15-9-5-3-6-10-15)14-22(18(17)20(24)26-2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate?
dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,3-diphenyl-2,4-dihydropyrimidine-5,6-dicarboxylate is sourced from PubChem (CID 73345914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).