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

C9H10F3N3O3 — CID 99983931

IUPAC2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1c(O)nc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H10F3N3O3/c1-15(2)5(16)3-4-6(17)13-8(9(10,11)12)14-7(4)18/h3H2,1-2H3,(H2,13,14,17,18)
InChIKeyFJIACFZMIFTUHF-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.12
Rot. Bonds2

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

2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide (PubChem CID 99983931) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide
PubChem CID99983931
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1c(O)nc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H10F3N3O3/c1-15(2)5(16)3-4-6(17)13-8(9(10,11)12)14-7(4)18/h3H2,1-2H3,(H2,13,14,17,18)
InChIKeyFJIACFZMIFTUHF-UHFFFAOYSA-N
XLogP0.12
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612110
5-ethyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954408
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
3-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983939
4-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-butyramide
CID 99983944
2-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 136743772

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide (CID 99983931) is 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1c(O)nc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide?
The InChIKey is FJIACFZMIFTUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-15(2)5(16)3-4-6(17)13-8(9(10,11)12)14-7(4)18/h3H2,1-2H3,(H2,13,14,17,18).
What are the key properties of 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide?
2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide has a molecular weight of 265.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 99983931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).