ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate

C15H17FN2O3 — CID 58128708

IUPACethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=CN(C)C(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3/c1-4-21-14(19)12-9-17(2)15(20)18(3)13(12)10-5-7-11(16)8-6-10/h5-9,13H,4H2,1-3H3
InChIKeyIZFAFUSONZMAOR-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.31
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate

ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate (PubChem CID 58128708) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate
PubChem CID58128708
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Nameethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=CN(C)C(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3/c1-4-21-14(19)12-9-17(2)15(20)18(3)13(12)10-5-7-11(16)8-6-10/h5-9,13H,4H2,1-3H3
InChIKeyIZFAFUSONZMAOR-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate (CID 58128708) is ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate is CCOC(=O)C1=CN(C)C(=O)N(C)C1c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The InChIKey is IZFAFUSONZMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-4-21-14(19)12-9-17(2)15(20)18(3)13(12)10-5-7-11(16)8-6-10/h5-9,13H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 58128708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).