2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine

C90H92F4N28 — CID 160994796

About 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine

2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine (PubChem CID 160994796) has the molecular formula C90H92F4N28 and a molecular weight of 1641.91 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine
• PubChem CID: 160994796
• Molecular Formula: C90H92F4N28
• Molecular Weight: 1641.91 g/mol
• Exact Mass: 1640.80
• IUPAC Name: 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine
• SMILES: Cc1cc(NC2Cc3ccccc3C2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2ccnc2n1.Cc1cc(Nc2ccc3c(c2)CCCC3)n2ccnc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(C)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3ncnn23)cc1
• InChI: InChI=1S/C17H18N4.C16H18FN5.C15H15F2N5.C15H15N5.C14H13FN4.C13H13N5/c1-12-10-16(21-9-8-18-17(21)19-12)20-15-7-6-13-4-2-3-5-14(13)11-15;1-10-5-7-12(8-6-10)19-13-9-11(2)18-15-20-14(16(3,4)17)21-22(13)15;1-9-4-6-11(7-5-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-10-6-14(20-15(18-10)16-9-17-20)19-13-7-11-4-2-3-5-12(11)8-13;1-9-3-4-11(8-12(9)15)18-13-7-10(2)17-14-16-5-6-19(13)14;1-9-3-5-11(6-4-9)17-12-7-10(2)16-13-14-8-15-18(12)13/h6-11,20H,2-5H2,1H3;5-9,19H,1-4H3;4-8,19H,1-3H3;2-6,9,13,19H,7-8H2,1H3;3-8,18H,1-2H3;3-8,17H,1-2H3
• InChIKey: TVCDYCXOMYFSML-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 304.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1641.91
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine?

The IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine (CID 160994796) is 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine.

What is the SMILES notation for 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine?

The canonical SMILES for 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine is Cc1cc(NC2Cc3ccccc3C2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2ccnc2n1.Cc1cc(Nc2ccc3c(c2)CCCC3)n2ccnc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(C)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3ncnn23)cc1.

What is the InChIKey of 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine?

The InChIKey is TVCDYCXOMYFSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4.C16H18FN5.C15H15F2N5.C15H15N5.C14H13FN4.C13H13N5/c1-12-10-16(21-9-8-18-17(21)19-12)20-15-7-6-13-4-2-3-5-14(13)11-15;1-10-5-7-12(8-6-10)19-13-9-11(2)18-15-20-14(16(3,4)17)21-22(13)15;1-9-4-6-11(7-5-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-10-6-14(20-15(18-10)16-9-17-20)19-13-7-11-4-2-3-5-12(11)8-13;1-9-3-4-11(8-12(9)15)18-13-7-10(2)17-14-16-5-6-19(13)14;1-9-3-5-11(6-4-9)17-12-7-10(2)16-13-14-8-15-18(12)13/h6-11,20H,2-5H2,1H3;5-9,19H,1-4H3;4-8,19H,1-3H3;2-6,9,13,19H,7-8H2,1H3;3-8,18H,1-2H3;3-8,17H,1-2H3.

What are the key properties of 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine?

2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 1641.91 g/mol, XLogP of 18.67, 14 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-5-amine;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 160994796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).