5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one

C15H17F2N3O — CID 58166437

IUPAC5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one
SMILESCC(C)Cn1cc(F)c(NCc2ccccc2F)nc1=O
InChIInChI=1S/C15H17F2N3O/c1-10(2)8-20-9-13(17)14(19-15(20)21)18-7-11-5-3-4-6-12(11)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyBUIOXQIESLMRCG-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.79
Rot. Bonds5

About 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one

5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one (PubChem CID 58166437) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one
PubChem CID58166437
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one
SMILESCC(C)Cn1cc(F)c(NCc2ccccc2F)nc1=O
InChIInChI=1S/C15H17F2N3O/c1-10(2)8-20-9-13(17)14(19-15(20)21)18-7-11-5-3-4-6-12(11)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyBUIOXQIESLMRCG-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one?
The IUPAC name of 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one (CID 58166437) is 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one?
The canonical SMILES for 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one is CC(C)Cn1cc(F)c(NCc2ccccc2F)nc1=O.
What is the InChIKey of 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one?
The InChIKey is BUIOXQIESLMRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10(2)8-20-9-13(17)14(19-15(20)21)18-7-11-5-3-4-6-12(11)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,21).
What are the key properties of 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one?
5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one has a molecular weight of 293.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(2-methylpropyl)pyrimidin-2-one is sourced from PubChem (CID 58166437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).