3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide

C11H14F3N3O2 — CID 176873386

IUPAC3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide
SMILESCC(C)CC(=O)Nc1cnc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C11H14F3N3O2/c1-6(2)4-8(18)16-7-5-15-10(11(12,13)14)17(3)9(7)19/h5-6H,4H2,1-3H3,(H,16,18)
InChIKeyGCCHJBITRFHHJB-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.78
Rot. Bonds3

About 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide

3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide (PubChem CID 176873386) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide
PubChem CID176873386
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide
SMILESCC(C)CC(=O)Nc1cnc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C11H14F3N3O2/c1-6(2)4-8(18)16-7-5-15-10(11(12,13)14)17(3)9(7)19/h5-6H,4H2,1-3H3,(H,16,18)
InChIKeyGCCHJBITRFHHJB-UHFFFAOYSA-N
XLogP1.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide (CID 176873386) is 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide is CC(C)CC(=O)Nc1cnc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide?
The InChIKey is GCCHJBITRFHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6(2)4-8(18)16-7-5-15-10(11(12,13)14)17(3)9(7)19/h5-6H,4H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide?
3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide has a molecular weight of 277.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide is sourced from PubChem (CID 176873386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).