4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one

C12H10F3N3O — CID 23318799

IUPAC4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(F)(F)F)c(C)c1-c1ncccn1
InChIInChI=1S/C12H10F3N3O/c1-6-8(10-16-4-3-5-17-10)7(2)18-11(19)9(6)12(13,14)15/h3-5H,1-2H3,(H,18,19)
InChIKeyFPZUPKRRTUSHCR-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.47
Rot. Bonds1

About 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one

4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 23318799) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID23318799
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(F)(F)F)c(C)c1-c1ncccn1
InChIInChI=1S/C12H10F3N3O/c1-6-8(10-16-4-3-5-17-10)7(2)18-11(19)9(6)12(13,14)15/h3-5H,1-2H3,(H,18,19)
InChIKeyFPZUPKRRTUSHCR-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 23318799) is 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one is Cc1[nH]c(=O)c(C(F)(F)F)c(C)c1-c1ncccn1.
What is the InChIKey of 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FPZUPKRRTUSHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-6-8(10-16-4-3-5-17-10)7(2)18-11(19)9(6)12(13,14)15/h3-5H,1-2H3,(H,18,19).
What are the key properties of 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 269.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 23318799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).