1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one

C24H23ClFN3O — CID 145174020

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one
SMILESCCc1cn(Cc2ccc(F)c(Cl)c2)c(Nc2ccc3c(c2C)C=C(C)C3)nc1=O
InChIInChI=1S/C24H23ClFN3O/c1-4-17-13-29(12-16-5-7-21(26)20(25)11-16)24(28-23(17)30)27-22-8-6-18-9-14(2)10-19(18)15(22)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28,30)
InChIKeyRLDNVQPLXCTWLT-UHFFFAOYSA-N
MW423.92 g/mol
LogP5.66
Rot. Bonds5

About 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one

1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one (PubChem CID 145174020) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one
PubChem CID145174020
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one
SMILESCCc1cn(Cc2ccc(F)c(Cl)c2)c(Nc2ccc3c(c2C)C=C(C)C3)nc1=O
InChIInChI=1S/C24H23ClFN3O/c1-4-17-13-29(12-16-5-7-21(26)20(25)11-16)24(28-23(17)30)27-22-8-6-18-9-14(2)10-19(18)15(22)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28,30)
InChIKeyRLDNVQPLXCTWLT-UHFFFAOYSA-N
XLogP5.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-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

Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,6-dimethyl-1H-inden-5-yl)amino]-5-fluoropyrimidin-4-one
CID 162169284
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290928
1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyrimidin-4-one;ethane
CID 145173757
1-[(3-chloro-4-fluorophenyl)methyl]-2-(4,5-dimethoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290266
1-[(3-chloro-4-fluorophenyl)methyl]-2-(5-fluoro-4-methoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290710
1-[(3-chloro-4-fluorophenyl)methyl]-2-(4-ethoxy-5-fluoro-2-methylanilino)-5-fluoropyrimidin-4-one
CID 134291033
1-[(3-chloro-4-fluorophenyl)methyl]-2-(5-ethoxy-2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290809
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2-fluoro-3,6-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134469251
2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetic acid
CID 134290303
2-(4-chloro-2,5-dimethylanilino)-1-[(3,4-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290631
1-[(3,5-difluorophenyl)methyl]-2-[(2,6-dimethyl-1H-inden-5-yl)amino]-5-fluoropyrimidin-4-one
CID 158199491
2-(3-chloro-2-methylanilino)-5-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 145173983

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one (CID 145174020) is 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one is CCc1cn(Cc2ccc(F)c(Cl)c2)c(Nc2ccc3c(c2C)C=C(C)C3)nc1=O.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one?
The InChIKey is RLDNVQPLXCTWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c1-4-17-13-29(12-16-5-7-21(26)20(25)11-16)24(28-23(17)30)27-22-8-6-18-9-14(2)10-19(18)15(22)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28,30).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one?
1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one has a molecular weight of 423.92 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-2-[(2,4-dimethyl-1H-inden-5-yl)amino]-5-ethylpyrimidin-4-one is sourced from PubChem (CID 145174020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).