N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C8H5F3N4O — CID 123895627

IUPACN-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC(F)(F)F)c1cn2cccnc2n1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)14-6(16)5-4-15-3-1-2-12-7(15)13-5/h1-4H,(H,14,16)
InChIKeyGWENPLAZMBFWAX-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.98
Rot. Bonds1

About N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 123895627) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID123895627
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC NameN-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC(F)(F)F)c1cn2cccnc2n1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)14-6(16)5-4-15-3-1-2-12-7(15)13-5/h1-4H,(H,14,16)
InChIKeyGWENPLAZMBFWAX-UHFFFAOYSA-N
XLogP0.98
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Imidazo[1,2-a]pyrazine-2-carboxamide
CID 12674624
Imidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 15152331
1-imidazo[1,2-a]pyrimidin-3-yl-Ethanone
CID 21957409
1-{Imidazo[1,2-a]pyrimidin-2-yl}ethan-1-one
CID 68050501
Imidazo[1,2-a]pyrimidine-3-carboxaldehyde
CID 404535
1,3-Dimethyl-pyrimido[2,1-f]purinedione
CID 14380925
1-(Pyrimidin-2-yl)-1H-imidazole-4-carbaldehyde
CID 22630884
Pyrimido[2,1-f]purinedione
CID 70512426
N-cyclohexyl-N-cyclopropylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 51094644
2-{[2-(Trifluoromethyl)morpholin-4-yl]carbonyl}imidazo[1,2-a]pyrimidine
CID 56861906
2-Amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride
CID 90664636
Azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 123895627) is N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NC(F)(F)F)c1cn2cccnc2n1.
What is the InChIKey of N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is GWENPLAZMBFWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)14-6(16)5-4-15-3-1-2-12-7(15)13-5/h1-4H,(H,14,16).
What are the key properties of N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 230.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 123895627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).