2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine

C35H26F4N12S2 — CID 158432380

IUPAC2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
SMILESCSc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3nc(N)ccn23)n1.CSc1nccc(-c2c(-c3cccc(F)c3)nc3nc(N)ccn23)n1
InChIInChI=1S/C18H13F3N6S.C17H13FN6S/c1-28-17-23-7-5-12(24-17)15-14(26-16-25-13(22)6-8-27(15)16)10-3-2-4-11(9-10)18(19,20)21;1-25-17-20-7-5-12(21-17)15-14(10-3-2-4-11(18)9-10)23-16-22-13(19)6-8-24(15)16/h2-9H,1H3,(H2,22,25,26);2-9H,1H3,(H2,19,22,23)
InChIKeyHBUUGADPZDZQNX-UHFFFAOYSA-N
MW754.80 g/mol
LogP7.47
Rot. Bonds6

About 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine

2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine (PubChem CID 158432380) has the molecular formula C35H26F4N12S2 and a molecular weight of 754.80 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
PubChem CID158432380
Molecular FormulaC35H26F4N12S2
Molecular Weight754.80 g/mol
Exact Mass754.18
IUPAC Name2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
SMILESCSc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3nc(N)ccn23)n1.CSc1nccc(-c2c(-c3cccc(F)c3)nc3nc(N)ccn23)n1
InChIInChI=1S/C18H13F3N6S.C17H13FN6S/c1-28-17-23-7-5-12(24-17)15-14(26-16-25-13(22)6-8-27(15)16)10-3-2-4-11(9-10)18(19,20)21;1-25-17-20-7-5-12(21-17)15-14(10-3-2-4-11(18)9-10)23-16-22-13(19)6-8-24(15)16/h2-9H,1H3,(H2,22,25,26);2-9H,1H3,(H2,19,22,23)
InChIKeyHBUUGADPZDZQNX-UHFFFAOYSA-N
XLogP7.47
TPSA163.98 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.80
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine with MolForge

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Related Compounds

US11420970, Example 198
CID 156073186
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
4-[2-(2,4-Difluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 23727894
(2,4-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744104
(2,5-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744105
(2,6-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744106
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-fluorobenzyl)amine
CID 24744267
(3,4-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744268
(3,5-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744269

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine (CID 158432380) is 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine is CSc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3nc(N)ccn23)n1.CSc1nccc(-c2c(-c3cccc(F)c3)nc3nc(N)ccn23)n1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine?
The InChIKey is HBUUGADPZDZQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6S.C17H13FN6S/c1-28-17-23-7-5-12(24-17)15-14(26-16-25-13(22)6-8-27(15)16)10-3-2-4-11(9-10)18(19,20)21;1-25-17-20-7-5-12(21-17)15-14(10-3-2-4-11(18)9-10)23-16-22-13(19)6-8-24(15)16/h2-9H,1H3,(H2,22,25,26);2-9H,1H3,(H2,19,22,23).
What are the key properties of 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine?
2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine has a molecular weight of 754.80 g/mol, XLogP of 7.47, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 158432380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).