2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one

C19H23FN2O — CID 58286873

IUPAC2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one
SMILESCC(C)c1ccc(-c2cnc(CCC3CC3)n(C)c2=O)cc1F
InChIInChI=1S/C19H23FN2O/c1-12(2)15-8-7-14(10-17(15)20)16-11-21-18(22(3)19(16)23)9-6-13-4-5-13/h7-8,10-13H,4-6,9H2,1-3H3
InChIKeyVQNPOKKEPWOIMI-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one

2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one (PubChem CID 58286873) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one
PubChem CID58286873
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one
SMILESCC(C)c1ccc(-c2cnc(CCC3CC3)n(C)c2=O)cc1F
InChIInChI=1S/C19H23FN2O/c1-12(2)15-8-7-14(10-17(15)20)16-11-21-18(22(3)19(16)23)9-6-13-4-5-13/h7-8,10-13H,4-6,9H2,1-3H3
InChIKeyVQNPOKKEPWOIMI-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one (CID 58286873) is 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one is CC(C)c1ccc(-c2cnc(CCC3CC3)n(C)c2=O)cc1F.
What is the InChIKey of 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one?
The InChIKey is VQNPOKKEPWOIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-12(2)15-8-7-14(10-17(15)20)16-11-21-18(22(3)19(16)23)9-6-13-4-5-13/h7-8,10-13H,4-6,9H2,1-3H3.
What are the key properties of 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one?
2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one has a molecular weight of 314.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 58286873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).