argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile

C13H10ArF3N3O — CID 161368992

IUPACargon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile
SMILESCN1CC(C#N)=CN(c2cccc(C(F)(F)F)c2)C1=O.[Ar]
InChIInChI=1S/C13H10F3N3O.Ar/c1-18-7-9(6-17)8-19(12(18)20)11-4-2-3-10(5-11)13(14,15)16;/h2-5,8H,7H2,1H3;
InChIKeyVQFGCBXFFOWQFK-UHFFFAOYSA-N
MW321.19 g/mol
LogP2.98
Rot. Bonds1

About argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile

argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile (PubChem CID 161368992) has the molecular formula C13H10ArF3N3O and a molecular weight of 321.19 g/mol. Its IUPAC name is argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Nameargon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile
PubChem CID161368992
Molecular FormulaC13H10ArF3N3O
Molecular Weight321.19 g/mol
Exact Mass321.04
IUPAC Nameargon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile
SMILESCN1CC(C#N)=CN(c2cccc(C(F)(F)F)c2)C1=O.[Ar]
InChIInChI=1S/C13H10F3N3O.Ar/c1-18-7-9(6-17)8-19(12(18)20)11-4-2-3-10(5-11)13(14,15)16;/h2-5,8H,7H2,1H3;
InChIKeyVQFGCBXFFOWQFK-UHFFFAOYSA-N
XLogP2.98
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
CID 160978413
5-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
CID 1492957
(1E)-1-[1-(cyanomethyl)-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-ylidene]-3-methylurea
CID 110185662
6-bromo-1,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrazin-3-one
CID 141194608
3,4,4-trimethyl-5-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57067232
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 91669634
4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
CID 134116227
[5-cyano-2-[3-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidin-4-yl]phenyl]boronic acid
CID 140700115
5-cyano-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-olate
CID 51372824
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021

Frequently Asked Questions

What is the IUPAC name of argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile?
The IUPAC name of argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile (CID 161368992) is argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile.
What is the SMILES notation for argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile?
The canonical SMILES for argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile is CN1CC(C#N)=CN(c2cccc(C(F)(F)F)c2)C1=O.[Ar].
What is the InChIKey of argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile?
The InChIKey is VQFGCBXFFOWQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O.Ar/c1-18-7-9(6-17)8-19(12(18)20)11-4-2-3-10(5-11)13(14,15)16;/h2-5,8H,7H2,1H3;.
What are the key properties of argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile?
argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile has a molecular weight of 321.19 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 161368992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).