7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine

C12H5F6N5 — CID 87889778

IUPAC7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)n1
InChIInChI=1S/C12H5F6N5/c13-11(14,15)7-1-3-19-9(21-7)6-5-20-10-22-8(12(16,17)18)2-4-23(6)10/h1-5H
InChIKeyFVQSRPFYTJNUIN-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.22
Rot. Bonds1

About 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine

7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine (PubChem CID 87889778) has the molecular formula C12H5F6N5 and a molecular weight of 333.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine
PubChem CID87889778
Molecular FormulaC12H5F6N5
Molecular Weight333.20 g/mol
Exact Mass333.04
IUPAC Name7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)n1
InChIInChI=1S/C12H5F6N5/c13-11(14,15)7-1-3-19-9(21-7)6-5-20-10-22-8(12(16,17)18)2-4-23(6)10/h1-5H
InChIKeyFVQSRPFYTJNUIN-UHFFFAOYSA-N
XLogP3.22
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine (CID 87889778) is 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine is FC(F)(F)c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)n1.
What is the InChIKey of 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is FVQSRPFYTJNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F6N5/c13-11(14,15)7-1-3-19-9(21-7)6-5-20-10-22-8(12(16,17)18)2-4-23(6)10/h1-5H.
What are the key properties of 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine?
7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 333.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 87889778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).