ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate

C10H8F3N3O2 — CID 3362760

IUPACethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-7(10(11,12)13)15-9-14-4-3-5-16(6)9/h3-5H,2H2,1H3
InChIKeyZBJBMDGMSVPMCB-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.92
Rot. Bonds2

About ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate

ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate (PubChem CID 3362760) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate
PubChem CID3362760
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Nameethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-7(10(11,12)13)15-9-14-4-3-5-16(6)9/h3-5H,2H2,1H3
InChIKeyZBJBMDGMSVPMCB-UHFFFAOYSA-N
XLogP1.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-methylimidazo(1,2-a)pyrazine-3-carboxylate
CID 13416932
Ethyl imidazo(1,2-a)pyrimidine-2-carboxylate
CID 2759351
Ethyl 2-methylimidazo[1,2-a]pyrimidine-3-carboxylate
CID 974192
Methyl 3-fluoroimidazo[1,2-a]pyrimidine-2-carboxylate
CID 46948720
2-(Trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 3842545
Methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate
CID 51072303
Ethyl imidazo[1,5-a]pyrimidine-8-carboxylate
CID 122151358
Ethyl 3-methylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 102363120
Ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyrimidine-6-carboxylate
CID 57758483
Ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate
CID 69560135
Ethyl 2-(trifluoromethyl)imidazo[1,5-A]pyrimidine-8-carboxylate
CID 124178512
Ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrazine-3-carboxylate
CID 135393426

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate (CID 3362760) is ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)nc2ncccn12.
What is the InChIKey of ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is ZBJBMDGMSVPMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-7(10(11,12)13)15-9-14-4-3-5-16(6)9/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate?
ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 259.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 3362760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).