5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

C9H12F3N3O — CID 162589056

IUPAC5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCNc1nc(C)c(C)c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5-6(2)14-8(13-3)15(7(5)16)4-9(10,11)12/h4H2,1-3H3,(H,13,14)
InChIKeyNMKSFNHEUCWPLR-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.46
Rot. Bonds2

About 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 162589056) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID162589056
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCNc1nc(C)c(C)c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5-6(2)14-8(13-3)15(7(5)16)4-9(10,11)12/h4H2,1-3H3,(H,13,14)
InChIKeyNMKSFNHEUCWPLR-UHFFFAOYSA-N
XLogP1.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 162589056) is 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is CNc1nc(C)c(C)c(=O)n1CC(F)(F)F.
What is the InChIKey of 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is NMKSFNHEUCWPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-6(2)14-8(13-3)15(7(5)16)4-9(10,11)12/h4H2,1-3H3,(H,13,14).
What are the key properties of 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 235.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(methylamino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 162589056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).