N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)

C131H110F24N32O4 — CID 164970348

About N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)

N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) (PubChem CID 164970348) has the molecular formula C131H110F24N32O4 and a molecular weight of 2652.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine).

Molecular Properties

• Compound Name: N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)
• PubChem CID: 164970348
• Molecular Formula: C131H110F24N32O4
• Molecular Weight: 2652.49 g/mol
• Exact Mass: 2650.90
• IUPAC Name: N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)
• SMILES: Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.FC(F)(F)c1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3CCOc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3CCOc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3CCc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3COc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(N[C@@H]3CCOc4ccccc43)ncnc2[nH]1
• InChI: InChI=1S/C18H17F3N4.2C17H15F3N4.3C16H13F3N4O.C16H13F3N4.C15H11F3N4O/c1-10-5-6-12-11(7-10)3-2-4-14(12)24-16-13-8-15(18(19,20)21)25-17(13)23-9-22-16;2*18-17(19,20)14-8-12-15(21-9-22-16(12)24-14)23-13-7-3-5-10-4-1-2-6-11(10)13;3*17-16(18,19)13-7-10-14(20-8-21-15(10)23-13)22-11-5-6-24-12-4-2-1-3-9(11)12;17-16(18,19)13-7-11-14(20-8-21-15(11)23-13)22-12-6-5-9-3-1-2-4-10(9)12;16-15(17,18)12-5-9-13(19-7-20-14(9)22-12)21-10-6-23-11-4-2-1-3-8(10)11/h5-9,14H,2-4H2,1H3,(H2,22,23,24,25);2*1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24);3*1-4,7-8,11H,5-6H2,(H2,20,21,22,23);1-4,7-8,12H,5-6H2,(H2,20,21,22,23);1-5,7,10H,6H2,(H2,19,20,21,22)/t;;;11-;;;;/m...1..../s1
• InChIKey: DAPJRJDDNPOXLW-XRCHRIIISA-N
• XLogP: 33.04
• TPSA: 465.72 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.49
LogP ≤ 5	33.04
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)?

The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) (CID 164970348) is N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine).

What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)?

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) is Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.FC(F)(F)c1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3CCOc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3CCOc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3CCc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(NC3COc4ccccc43)ncnc2[nH]1.FC(F)(F)c1cc2c(N[C@@H]3CCOc4ccccc43)ncnc2[nH]1.

What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)?

The InChIKey is DAPJRJDDNPOXLW-XRCHRIIISA-N. The full InChI is InChI=1S/C18H17F3N4.2C17H15F3N4.3C16H13F3N4O.C16H13F3N4.C15H11F3N4O/c1-10-5-6-12-11(7-10)3-2-4-14(12)24-16-13-8-15(18(19,20)21)25-17(13)23-9-22-16;2*18-17(19,20)14-8-12-15(21-9-22-16(12)24-14)23-13-7-3-5-10-4-1-2-6-11(10)13;3*17-16(18,19)13-7-10-14(20-8-21-15(10)23-13)22-11-5-6-24-12-4-2-1-3-9(11)12;17-16(18,19)13-7-11-14(20-8-21-15(11)23-13)22-12-6-5-9-3-1-2-4-10(9)12;16-15(17,18)12-5-9-13(19-7-20-14(9)22-12)21-10-6-23-11-4-2-1-3-8(10)11/h5-9,14H,2-4H2,1H3,(H2,22,23,24,25);2*1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24);3*1-4,7-8,11H,5-6H2,(H2,20,21,22,23);1-4,7-8,12H,5-6H2,(H2,20,21,22,23);1-5,7,10H,6H2,(H2,19,20,21,22)/t;;;11-;;;;/m...1..../s1.

What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)?

N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) has a molecular weight of 2652.49 g/mol, XLogP of 33.04, 16 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-3-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) is sourced from PubChem (CID 164970348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).