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

C12H14F3N3 — CID 176739078

IUPAC2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCc1c(C(C)(C)C)nc2cc(C(F)(F)F)ncn12
InChIInChI=1S/C12H14F3N3/c1-7-10(11(2,3)4)17-9-5-8(12(13,14)15)16-6-18(7)9/h5-6H,1-4H3
InChIKeyVDGBPXJSTNVJDZ-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.35
Rot. Bonds

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

2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 176739078) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID176739078
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCc1c(C(C)(C)C)nc2cc(C(F)(F)F)ncn12
InChIInChI=1S/C12H14F3N3/c1-7-10(11(2,3)4)17-9-5-8(12(13,14)15)16-6-18(7)9/h5-6H,1-4H3
InChIKeyVDGBPXJSTNVJDZ-UHFFFAOYSA-N
XLogP3.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.35
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-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 176739078) is 2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is Cc1c(C(C)(C)C)nc2cc(C(F)(F)F)ncn12.
What is the InChIKey of 2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is VDGBPXJSTNVJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-7-10(11(2,3)4)17-9-5-8(12(13,14)15)16-6-18(7)9/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 257.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176739078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).