dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate

C20H16N2O4 — CID 1210958

IUPACdimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C20H16N2O4/c1-25-19(23)15-16(13-9-5-3-6-10-13)21-18(14-11-7-4-8-12-14)22-17(15)20(24)26-2/h3-12H,1-2H3
InChIKeyRRUTUEZYVCCELA-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.38
Rot. Bonds4

About dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate

dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate (PubChem CID 1210958) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate
PubChem CID1210958
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Namedimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C20H16N2O4/c1-25-19(23)15-16(13-9-5-3-6-10-13)21-18(14-11-7-4-8-12-14)22-17(15)20(24)26-2/h3-12H,1-2H3
InChIKeyRRUTUEZYVCCELA-UHFFFAOYSA-N
XLogP3.38
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-methyl-2-morpholino-6-phenyl-pyrimidine-5-carboxylate
CID 53306251
Ethyl 2-ethoxy-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 53306252
Methyl 4-benzyl-6-(2-methoxyethoxymethyl)-2-pyridin-2-ylpyrimidine-5-carboxylate
CID 137641570
Ethyl 5-(4-fluorobenzoyl)-2-phenylpyrimidine-4-carboxylate
CID 102521229
Ethyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 14513893
6-Dibenzylamino-5-methyl-pyrimidine-2,4-dicarboxylic acid diethyl ester
CID 9980311
6-Butyl-4-methoxycarbonyl-2-methyl-5-[(2'-(tetrazol-5-yl)biphen-4-yl)methyl]pyrimidine
CID 44209982
Ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584506
Ethyl 2-ethyl-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 122219394
Ethyl 4-(2-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 135035365
Ethyl 4-(3-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 135035366
Methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 135035371

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate (CID 1210958) is dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate is COC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)c1C(=O)OC.
What is the InChIKey of dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate?
The InChIKey is RRUTUEZYVCCELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-19(23)15-16(13-9-5-3-6-10-13)21-18(14-11-7-4-8-12-14)22-17(15)20(24)26-2/h3-12H,1-2H3.
What are the key properties of dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate?
dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate has a molecular weight of 348.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-diphenylpyrimidine-4,5-dicarboxylate is sourced from PubChem (CID 1210958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).