2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C13H16F3N3 — CID 176739221

IUPAC2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCc1c(C(C)(C)C)nc2cc(C(F)(F)F)ncn12
InChIInChI=1S/C13H16F3N3/c1-5-8-11(12(2,3)4)18-10-6-9(13(14,15)16)17-7-19(8)10/h6-7H,5H2,1-4H3
InChIKeyYCLXSNMPANTKEJ-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.61
Rot. Bonds1

About 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 176739221) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID176739221
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCc1c(C(C)(C)C)nc2cc(C(F)(F)F)ncn12
InChIInChI=1S/C13H16F3N3/c1-5-8-11(12(2,3)4)18-10-6-9(13(14,15)16)17-7-19(8)10/h6-7H,5H2,1-4H3
InChIKeyYCLXSNMPANTKEJ-UHFFFAOYSA-N
XLogP3.61
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 176739221) is 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCc1c(C(C)(C)C)nc2cc(C(F)(F)F)ncn12.
What is the InChIKey of 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is YCLXSNMPANTKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-5-8-11(12(2,3)4)18-10-6-9(13(14,15)16)17-7-19(8)10/h6-7H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 271.29 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176739221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).