4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide

C11H14F3N3O3 — CID 99983944

IUPAC4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1c(O)nc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H14F3N3O3/c1-17(2)7(18)5-3-4-6-8(19)15-10(11(12,13)14)16-9(6)20/h3-5H2,1-2H3,(H2,15,16,19,20)
InChIKeyAKLDGYBWXUZDKM-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.91
Rot. Bonds4

About 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide

4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide (PubChem CID 99983944) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide
PubChem CID99983944
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1c(O)nc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H14F3N3O3/c1-17(2)7(18)5-3-4-6-8(19)15-10(11(12,13)14)16-9(6)20/h3-5H2,1-2H3,(H2,15,16,19,20)
InChIKeyAKLDGYBWXUZDKM-UHFFFAOYSA-N
XLogP0.91
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide (CID 99983944) is 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCc1c(O)nc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide?
The InChIKey is AKLDGYBWXUZDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-17(2)7(18)5-3-4-6-8(19)15-10(11(12,13)14)16-9(6)20/h3-5H2,1-2H3,(H2,15,16,19,20).
What are the key properties of 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide?
4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide has a molecular weight of 293.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 99983944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).