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

C20H24F2N2O3 — CID 91046029

IUPACcyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=NC(=O)NC(c2ccc(F)c(F)c2)C1C(=O)OCC1CCCCC1
InChIInChI=1S/C20H24F2N2O3/c1-2-16-17(19(25)27-11-12-6-4-3-5-7-12)18(24-20(26)23-16)13-8-9-14(21)15(22)10-13/h8-10,12,17-18H,2-7,11H2,1H3,(H,24,26)
InChIKeyUUSDZCOWHNXCBW-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.32
Rot. Bonds5

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

cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 91046029) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID91046029
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC Namecyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=NC(=O)NC(c2ccc(F)c(F)c2)C1C(=O)OCC1CCCCC1
InChIInChI=1S/C20H24F2N2O3/c1-2-16-17(19(25)27-11-12-6-4-3-5-7-12)18(24-20(26)23-16)13-8-9-14(21)15(22)10-13/h8-10,12,17-18H,2-7,11H2,1H3,(H,24,26)
InChIKeyUUSDZCOWHNXCBW-UHFFFAOYSA-N
XLogP4.32
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 91046029) is cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCC1=NC(=O)NC(c2ccc(F)c(F)c2)C1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is UUSDZCOWHNXCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-2-16-17(19(25)27-11-12-6-4-3-5-7-12)18(24-20(26)23-16)13-8-9-14(21)15(22)10-13/h8-10,12,17-18H,2-7,11H2,1H3,(H,24,26).
What are the key properties of cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 378.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 6-(3,4-difluorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 91046029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).