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

C12H11F6N3 — CID 176739029

IUPAC2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCC(C)(C)c1nc2cc(C(F)(F)F)ncn2c1C(F)(F)F
InChIInChI=1S/C12H11F6N3/c1-10(2,3)8-9(12(16,17)18)21-5-19-6(11(13,14)15)4-7(21)20-8/h4-5H,1-3H3
InChIKeyXWBGWMJBWNOQPC-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.06
Rot. Bonds

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

2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 176739029) has the molecular formula C12H11F6N3 and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID176739029
Molecular FormulaC12H11F6N3
Molecular Weight311.23 g/mol
Exact Mass311.09
IUPAC Name2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCC(C)(C)c1nc2cc(C(F)(F)F)ncn2c1C(F)(F)F
InChIInChI=1S/C12H11F6N3/c1-10(2,3)8-9(12(16,17)18)21-5-19-6(11(13,14)15)4-7(21)20-8/h4-5H,1-3H3
InChIKeyXWBGWMJBWNOQPC-UHFFFAOYSA-N
XLogP4.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 176739029) is 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine is CC(C)(C)c1nc2cc(C(F)(F)F)ncn2c1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is XWBGWMJBWNOQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N3/c1-10(2,3)8-9(12(16,17)18)21-5-19-6(11(13,14)15)4-7(21)20-8/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 311.23 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,7-bis(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176739029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).