ethyl 2,6-diphenylpyrimidine-4-carboxylate

C19H16N2O2 — CID 15372800

IUPACethyl 2,6-diphenylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H16N2O2/c1-2-23-19(22)17-13-16(14-9-5-3-6-10-14)20-18(21-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyMMBPPPZAWSBHIK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.99
Rot. Bonds4

About ethyl 2,6-diphenylpyrimidine-4-carboxylate

ethyl 2,6-diphenylpyrimidine-4-carboxylate (PubChem CID 15372800) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2,6-diphenylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-diphenylpyrimidine-4-carboxylate
PubChem CID15372800
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Nameethyl 2,6-diphenylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H16N2O2/c1-2-23-19(22)17-13-16(14-9-5-3-6-10-14)20-18(21-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyMMBPPPZAWSBHIK-UHFFFAOYSA-N
XLogP3.99
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
[4-(2,6-diphenylpyrimidine-4-carbonyl)oxyphenyl] 2,6-diphenylpyrimidine-4-carboxylate
CID 153305203
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
CID 134840915
ethyl 2,6-bis(3,4-dibromophenyl)pyrimidine-4-carboxylate
CID 171775930
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 8-methyl-2-phenylquinoline-6-carboxylate
CID 164676553
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-diphenylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 2,6-diphenylpyrimidine-4-carboxylate (CID 15372800) is ethyl 2,6-diphenylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-diphenylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2,6-diphenylpyrimidine-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of ethyl 2,6-diphenylpyrimidine-4-carboxylate?
The InChIKey is MMBPPPZAWSBHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-23-19(22)17-13-16(14-9-5-3-6-10-14)20-18(21-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of ethyl 2,6-diphenylpyrimidine-4-carboxylate?
ethyl 2,6-diphenylpyrimidine-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-diphenylpyrimidine-4-carboxylate is sourced from PubChem (CID 15372800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).