3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

C48H36F15N9O4 — CID 160706847

IUPAC3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESCC(F)(F)c1cnc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(C)(F)F)n2c1.Cc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(C)(F)F)n2c1
InChIInChI=1S/C17H14F5N3O2.C16H12F5N3O.C15H10F5N3O/c1-16(18,19)14-7-24-15-23-6-11(8-25(14)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;1-9-5-11(25-16(19,20)21)3-4-12(9)10-6-22-14-23-7-13(15(2,17)18)24(14)8-10;1-14(16,17)12-7-22-13-21-6-10(8-23(12)13)9-2-4-11(5-3-9)24-15(18,19)20/h3-8H,9H2,1-2H3;3-8H,1-2H3;2-8H,1H3
InChIKeyRRILIKKQZNZKCE-UHFFFAOYSA-N
MW1087.84 g/mol
LogP13.67
Rot. Bonds11

About 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 160706847) has the molecular formula C48H36F15N9O4 and a molecular weight of 1087.84 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
PubChem CID160706847
Molecular FormulaC48H36F15N9O4
Molecular Weight1087.84 g/mol
Exact Mass1087.27
IUPAC Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESCC(F)(F)c1cnc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(C)(F)F)n2c1.Cc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(C)(F)F)n2c1
InChIInChI=1S/C17H14F5N3O2.C16H12F5N3O.C15H10F5N3O/c1-16(18,19)14-7-24-15-23-6-11(8-25(14)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;1-9-5-11(25-16(19,20)21)3-4-12(9)10-6-22-14-23-7-13(15(2,17)18)24(14)8-10;1-14(16,17)12-7-22-13-21-6-10(8-23(12)13)9-2-4-11(5-3-9)24-15(18,19)20/h3-8H,9H2,1-2H3;3-8H,1-2H3;2-8H,1H3
InChIKeyRRILIKKQZNZKCE-UHFFFAOYSA-N
XLogP13.67
TPSA127.49 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.84
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (CID 160706847) is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is CC(F)(F)c1cnc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(C)(F)F)n2c1.Cc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(C)(F)F)n2c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is RRILIKKQZNZKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N3O2.C16H12F5N3O.C15H10F5N3O/c1-16(18,19)14-7-24-15-23-6-11(8-25(14)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;1-9-5-11(25-16(19,20)21)3-4-12(9)10-6-22-14-23-7-13(15(2,17)18)24(14)8-10;1-14(16,17)12-7-22-13-21-6-10(8-23(12)13)9-2-4-11(5-3-9)24-15(18,19)20/h3-8H,9H2,1-2H3;3-8H,1-2H3;2-8H,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 1087.84 g/mol, XLogP of 13.67, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 160706847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).