2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one

C22H21F2N3O — CID 134291219

IUPAC2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one
SMILESCCc1cc2c(cc1Nc1nc(=O)c(F)cn1Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C22H21F2N3O/c1-2-15-10-16-4-3-5-17(16)11-20(15)25-22-26-21(28)19(24)13-27(22)12-14-6-8-18(23)9-7-14/h6-11,13H,2-5,12H2,1H3,(H,25,26,28)
InChIKeyJVNWGBLWMJUEPJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.36
Rot. Bonds5

About 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one

2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 134291219) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID134291219
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one
SMILESCCc1cc2c(cc1Nc1nc(=O)c(F)cn1Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C22H21F2N3O/c1-2-15-10-16-4-3-5-17(16)11-20(15)25-22-26-21(28)19(24)13-27(22)12-14-6-8-18(23)9-7-14/h6-11,13H,2-5,12H2,1H3,(H,25,26,28)
InChIKeyJVNWGBLWMJUEPJ-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-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 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one (CID 134291219) is 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one is CCc1cc2c(cc1Nc1nc(=O)c(F)cn1Cc1ccc(F)cc1)CCC2.
What is the InChIKey of 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is JVNWGBLWMJUEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c1-2-15-10-16-4-3-5-17(16)11-20(15)25-22-26-21(28)19(24)13-27(22)12-14-6-8-18(23)9-7-14/h6-11,13H,2-5,12H2,1H3,(H,25,26,28).
What are the key properties of 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one?
2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 381.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2,3-dihydro-1H-inden-5-yl)amino]-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 134291219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).