N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide

C9H10F3N3O2 — CID 99983897

IUPACN,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide
SMILESCN(C)C(=O)Cc1cnc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H10F3N3O2/c1-15(2)6(16)3-5-4-13-8(9(10,11)12)14-7(5)17/h4H,3H2,1-2H3,(H,13,14,17)
InChIKeyPPCUPXJGEUQXNL-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.42
Rot. Bonds2

About N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide

N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide (PubChem CID 99983897) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide
PubChem CID99983897
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide
SMILESCN(C)C(=O)Cc1cnc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H10F3N3O2/c1-15(2)6(16)3-5-4-13-8(9(10,11)12)14-7(5)17/h4H,3H2,1-2H3,(H,13,14,17)
InChIKeyPPCUPXJGEUQXNL-UHFFFAOYSA-N
XLogP0.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide (CID 99983897) is N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide is CN(C)C(=O)Cc1cnc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide?
The InChIKey is PPCUPXJGEUQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-15(2)6(16)3-5-4-13-8(9(10,11)12)14-7(5)17/h4H,3H2,1-2H3,(H,13,14,17).
What are the key properties of N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide?
N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide has a molecular weight of 249.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 99983897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).