ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate

C20H17FN2O2 — CID 102584506

IUPACethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C20H17FN2O2/c1-3-25-20(24)17-13(2)22-19(15-9-11-16(21)12-10-15)23-18(17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyWMEKKCWMZWNGIN-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.43
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate

ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 102584506) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID102584506
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Nameethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C20H17FN2O2/c1-3-25-20(24)17-13(2)22-19(15-9-11-16(21)12-10-15)23-18(17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyWMEKKCWMZWNGIN-UHFFFAOYSA-N
XLogP4.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate (CID 102584506) is ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is WMEKKCWMZWNGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-3-25-20(24)17-13(2)22-19(15-9-11-16(21)12-10-15)23-18(17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate?
ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 102584506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).