1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one

C20H19F2N3O2 — CID 134290678

IUPAC1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one
SMILESCCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2N3O2/c1-3-14-6-4-5-7-17(14)23-20-24-19(26)18(27-2)12-25(20)11-13-8-15(21)10-16(22)9-13/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)
InChIKeyDHFSIMURGONYGO-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.88
Rot. Bonds6

About 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one

1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one (PubChem CID 134290678) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one
PubChem CID134290678
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one
SMILESCCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2N3O2/c1-3-14-6-4-5-7-17(14)23-20-24-19(26)18(27-2)12-25(20)11-13-8-15(21)10-16(22)9-13/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)
InChIKeyDHFSIMURGONYGO-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

Analyze 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one (CID 134290678) is 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one is CCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one?
The InChIKey is DHFSIMURGONYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-3-14-6-4-5-7-17(14)23-20-24-19(26)18(27-2)12-25(20)11-13-8-15(21)10-16(22)9-13/h4-10,12H,3,11H2,1-2H3,(H,23,24,26).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one?
1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-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 1-[(3,5-difluorophenyl)methyl]-2-(2-ethylanilino)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 134290678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).