1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one

C19H17ClFN3O — CID 134290232

IUPAC1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one
SMILESCCc1ccccc1Nc1nc(=O)c(F)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C19H17ClFN3O/c1-2-14-7-3-4-9-17(14)22-19-23-18(25)16(21)12-24(19)11-13-6-5-8-15(20)10-13/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyDYTHELPRGJHEEC-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.39
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one

1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one (PubChem CID 134290232) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one
PubChem CID134290232
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one
SMILESCCc1ccccc1Nc1nc(=O)c(F)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C19H17ClFN3O/c1-2-14-7-3-4-9-17(14)22-19-23-18(25)16(21)12-24(19)11-13-6-5-8-15(20)10-13/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyDYTHELPRGJHEEC-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421645
1-Benzyl-2-(3-chloro-2-methylanilino)-5-fluoropyrimidin-4-one
CID 134290150
2-(3-Chloro-2-methylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290196
2-(3-Chloro-2-methylanilino)-1-[(3,4-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290228
2-(2,3-Dimethylanilino)-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 134290243
5-Fluoro-2-(5-fluoro-2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134290256
1-Benzyl-2-(3-chloro-2-methylanilino)-5-(2,2,2-trifluoroethoxy)pyrimidin-4-one
CID 134290269
2-(3-Chloro-2-methylanilino)-5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 134290274
1-[(3-Chloro-4-fluorophenyl)methyl]-2-(2,5-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290287
2-(3-Chloro-2-methylanilino)-1-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290302
1-[(4-Chloro-3-fluorophenyl)methyl]-2-(3-chloro-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290319
1-benzyl-2-(3-chloro-2-methylanilino)-4-oxo-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 134290323

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one (CID 134290232) is 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one is CCc1ccccc1Nc1nc(=O)c(F)cn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one?
The InChIKey is DYTHELPRGJHEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-2-14-7-3-4-9-17(14)22-19-23-18(25)16(21)12-24(19)11-13-6-5-8-15(20)10-13/h3-10,12H,2,11H2,1H3,(H,22,23,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one?
1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one has a molecular weight of 357.82 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one is sourced from PubChem (CID 134290232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).