3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide

C10H12F3N3O3 — CID 99983939

IUPAC3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1c(O)nc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H12F3N3O3/c1-16(2)6(17)4-3-5-7(18)14-9(10(11,12)13)15-8(5)19/h3-4H2,1-2H3,(H2,14,15,18,19)
InChIKeyIJVYJJBNJAQIEH-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.52
Rot. Bonds3

About 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide

3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide (PubChem CID 99983939) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide
PubChem CID99983939
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1c(O)nc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H12F3N3O3/c1-16(2)6(17)4-3-5-7(18)14-9(10(11,12)13)15-8(5)19/h3-4H2,1-2H3,(H2,14,15,18,19)
InChIKeyIJVYJJBNJAQIEH-UHFFFAOYSA-N
XLogP0.52
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612957
4-hydroxy-5-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954409
3-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983903
2-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983931
4-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-butyramide
CID 99983944
3-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 136743773
5-[3-(dimethylamino)propyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 170867323

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide (CID 99983939) is 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1c(O)nc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide?
The InChIKey is IJVYJJBNJAQIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-16(2)6(17)4-3-5-7(18)14-9(10(11,12)13)15-8(5)19/h3-4H2,1-2H3,(H2,14,15,18,19).
What are the key properties of 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide?
3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide has a molecular weight of 279.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 99983939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).