1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one

C14H13F3N2O — CID 21448520

IUPAC1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCC(C)n1cnc(=O)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O/c1-9(2)19-7-11(13(20)18-8-19)10-5-3-4-6-12(10)14(15,16)17/h3-9H,1-2H3
InChIKeyUXZBPPLDFZIFHP-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.51
Rot. Bonds2

About 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one

1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one (PubChem CID 21448520) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one.

Molecular Properties

Compound Name1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one
PubChem CID21448520
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCC(C)n1cnc(=O)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O/c1-9(2)19-7-11(13(20)18-8-19)10-5-3-4-6-12(10)14(15,16)17/h3-9H,1-2H3
InChIKeyUXZBPPLDFZIFHP-UHFFFAOYSA-N
XLogP3.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one?
The IUPAC name of 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one (CID 21448520) is 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one.
What is the SMILES notation for 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one?
The canonical SMILES for 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one is CC(C)n1cnc(=O)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one?
The InChIKey is UXZBPPLDFZIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-9(2)19-7-11(13(20)18-8-19)10-5-3-4-6-12(10)14(15,16)17/h3-9H,1-2H3.
What are the key properties of 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one?
1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one has a molecular weight of 282.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one is sourced from PubChem (CID 21448520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).