2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one

C23H19FN4O2 — CID 23020503

IUPAC2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(-c3ccccc3)c2)c1=O
InChIInChI=1S/C23H19FN4O2/c1-2-27-22(30)20(21(26-23(27)25)15-7-6-8-17(24)13-15)16-11-12-19(29)28(14-16)18-9-4-3-5-10-18/h3-14H,2H2,1H3,(H2,25,26)
InChIKeyHVZRNEZVLQTBMW-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.47
Rot. Bonds4

About 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one

2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one (PubChem CID 23020503) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one
PubChem CID23020503
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(-c3ccccc3)c2)c1=O
InChIInChI=1S/C23H19FN4O2/c1-2-27-22(30)20(21(26-23(27)25)15-7-6-8-17(24)13-15)16-11-12-19(29)28(14-16)18-9-4-3-5-10-18/h3-14H,2H2,1H3,(H2,25,26)
InChIKeyHVZRNEZVLQTBMW-UHFFFAOYSA-N
XLogP3.47
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one?
The IUPAC name of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one (CID 23020503) is 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one is CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(-c3ccccc3)c2)c1=O.
What is the InChIKey of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one?
The InChIKey is HVZRNEZVLQTBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-2-27-22(30)20(21(26-23(27)25)15-7-6-8-17(24)13-15)16-11-12-19(29)28(14-16)18-9-4-3-5-10-18/h3-14H,2H2,1H3,(H2,25,26).
What are the key properties of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one?
2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one has a molecular weight of 402.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one is sourced from PubChem (CID 23020503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).