2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C24H22FN5O — CID 18767896

IUPAC2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCNc2ccccc2)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H22FN5O/c1-30-23(31)21(17-7-9-19(25)10-8-17)22(18-11-13-26-14-12-18)29-24(30)28-16-15-27-20-5-3-2-4-6-20/h2-14,27H,15-16H2,1H3,(H,28,29)
InChIKeyOEUZJGSBWARDHK-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.17
Rot. Bonds7

About 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 18767896) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID18767896
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCNc2ccccc2)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H22FN5O/c1-30-23(31)21(17-7-9-19(25)10-8-17)22(18-11-13-26-14-12-18)29-24(30)28-16-15-27-20-5-3-2-4-6-20/h2-14,27H,15-16H2,1H3,(H,28,29)
InChIKeyOEUZJGSBWARDHK-UHFFFAOYSA-N
XLogP4.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 18767896) is 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCCNc2ccccc2)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is OEUZJGSBWARDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-30-23(31)21(17-7-9-19(25)10-8-17)22(18-11-13-26-14-12-18)29-24(30)28-16-15-27-20-5-3-2-4-6-20/h2-14,27H,15-16H2,1H3,(H,28,29).
What are the key properties of 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 415.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 18767896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).