ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H17FN2O3 — CID 3903153

IUPACethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1F
InChIInChI=1S/C19H17FN2O3/c1-2-25-18(23)15-16(12-8-4-3-5-9-12)21-19(24)22-17(15)13-10-6-7-11-14(13)20/h3-11,17H,2H2,1H3,(H2,21,22,24)
InChIKeySAIMNANLDFMNHN-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.15
Rot. Bonds4

About ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 3903153) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID3903153
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Nameethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1F
InChIInChI=1S/C19H17FN2O3/c1-2-25-18(23)15-16(12-8-4-3-5-9-12)21-19(24)22-17(15)13-10-6-7-11-14(13)20/h3-11,17H,2H2,1H3,(H2,21,22,24)
InChIKeySAIMNANLDFMNHN-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 3903153) is ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1F.
What is the InChIKey of ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is SAIMNANLDFMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-2-25-18(23)15-16(12-8-4-3-5-9-12)21-19(24)22-17(15)13-10-6-7-11-14(13)20/h3-11,17H,2H2,1H3,(H2,21,22,24).
What are the key properties of ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 3903153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).