2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one

C20H19F2N3O2 — CID 134290568

IUPAC2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
SMILESCCc1ccc(F)cc1Nc1nc(=O)c(OC)cn1Cc1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O2/c1-3-14-6-9-16(22)10-17(14)23-20-24-19(26)18(27-2)12-25(20)11-13-4-7-15(21)8-5-13/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)
InChIKeyJGGIRSLPRCQPGF-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.88
Rot. Bonds6

About 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one

2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one (PubChem CID 134290568) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
PubChem CID134290568
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
SMILESCCc1ccc(F)cc1Nc1nc(=O)c(OC)cn1Cc1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O2/c1-3-14-6-9-16(22)10-17(14)23-20-24-19(26)18(27-2)12-25(20)11-13-4-7-15(21)8-5-13/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)
InChIKeyJGGIRSLPRCQPGF-UHFFFAOYSA-N
XLogP3.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135846106
2-[2-Chloro-3-(trifluoromethyl)anilino]-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 134290160
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)anilino]-5-methoxypyrimidin-4-one
CID 134290165
2-(3-Chloro-2-methylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290196
2-[2-Chloro-3-(trifluoromethyl)anilino]-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290204
2-(3-Chloro-2-methylanilino)-1-[(3,4-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290228
1-[(4-Fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one
CID 134290241
2-(2,3-Dimethylanilino)-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 134290243
2-(2,3-Dimethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290253
5-Fluoro-2-(5-fluoro-2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134290256
2-(2-Ethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290260
1-Benzyl-2-(3-chloro-2-methylanilino)-5-(2,2,2-trifluoroethoxy)pyrimidin-4-one
CID 134290269

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one?
The IUPAC name of 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one (CID 134290568) is 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one?
The canonical SMILES for 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one is CCc1ccc(F)cc1Nc1nc(=O)c(OC)cn1Cc1ccc(F)cc1.
What is the InChIKey of 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one?
The InChIKey is JGGIRSLPRCQPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-3-14-6-9-16(22)10-17(14)23-20-24-19(26)18(27-2)12-25(20)11-13-4-7-15(21)8-5-13/h4-10,12H,3,11H2,1-2H3,(H,23,24,26).
What are the key properties of 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one?
2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one has a molecular weight of 371.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 134290568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).