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

C12H10F3N3O — CID 23318787

IUPAC1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCc1c(-c2ncccn2)cc(C(F)(F)F)c(=O)n1C
InChIInChI=1S/C12H10F3N3O/c1-7-8(10-16-4-3-5-17-10)6-9(12(13,14)15)11(19)18(7)2/h3-6H,1-2H3
InChIKeyYHQDHDYFJQCQAI-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.17
Rot. Bonds1

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

1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 23318787) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one
PubChem CID23318787
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCc1c(-c2ncccn2)cc(C(F)(F)F)c(=O)n1C
InChIInChI=1S/C12H10F3N3O/c1-7-8(10-16-4-3-5-17-10)6-9(12(13,14)15)11(19)18(7)2/h3-6H,1-2H3
InChIKeyYHQDHDYFJQCQAI-UHFFFAOYSA-N
XLogP2.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one (CID 23318787) is 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one is Cc1c(-c2ncccn2)cc(C(F)(F)F)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is YHQDHDYFJQCQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-8(10-16-4-3-5-17-10)6-9(12(13,14)15)11(19)18(7)2/h3-6H,1-2H3.
What are the key properties of 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one?
1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 269.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 23318787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).