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

C20H25FN2O3 — CID 90922425

IUPACcyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=NC(=O)NC(c2ccc(F)cc2)C1C(=O)OCC1CCCCC1
InChIInChI=1S/C20H25FN2O3/c1-2-16-17(19(24)26-12-13-6-4-3-5-7-13)18(23-20(25)22-16)14-8-10-15(21)11-9-14/h8-11,13,17-18H,2-7,12H2,1H3,(H,23,25)
InChIKeyXJVSJLSLRYAHGX-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.18
Rot. Bonds5

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

cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 90922425) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID90922425
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Namecyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=NC(=O)NC(c2ccc(F)cc2)C1C(=O)OCC1CCCCC1
InChIInChI=1S/C20H25FN2O3/c1-2-16-17(19(24)26-12-13-6-4-3-5-7-13)18(23-20(25)22-16)14-8-10-15(21)11-9-14/h8-11,13,17-18H,2-7,12H2,1H3,(H,23,25)
InChIKeyXJVSJLSLRYAHGX-UHFFFAOYSA-N
XLogP4.18
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 90922425) is cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCC1=NC(=O)NC(c2ccc(F)cc2)C1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is XJVSJLSLRYAHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-2-16-17(19(24)26-12-13-6-4-3-5-7-13)18(23-20(25)22-16)14-8-10-15(21)11-9-14/h8-11,13,17-18H,2-7,12H2,1H3,(H,23,25).
What are the key properties of cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 360.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-ethyl-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 90922425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).