N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine

C94H80F5N27 — CID 165095474

About N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine

N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine (PubChem CID 165095474) has the molecular formula C94H80F5N27 and a molecular weight of 1682.85 g/mol. Its IUPAC name is N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine.

Molecular Properties

• Compound Name: N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine
• PubChem CID: 165095474
• Molecular Formula: C94H80F5N27
• Molecular Weight: 1682.85 g/mol
• Exact Mass: 1681.70
• IUPAC Name: N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine
• SMILES: CC(C)n1cnc2c(Nc3ccnc(C(C)(F)F)c3)nc(-c3ccncc3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3ccccn3)nc21.Cc1cc2c(-c3ccccc3)nc(Nc3ccccc3)nc2[nH]1.Cc1cc2c(Nc3ccccc3)nc(-c3ccccc3)nc2[nH]1.c1ccc(Nc2nc(-c3ccccc3)nc3nc[nH]c23)cc1
• InChI: InChI=1S/C20H19F2N7.C19H16F3N7.2C19H16N4.C17H13N5/c1-12(2)29-11-25-16-18(26-14-6-9-24-15(10-14)20(3,21)22)27-17(28-19(16)29)13-4-7-23-8-5-13;1-11(2)29-10-25-15-17(26-12-6-8-24-14(9-12)19(20,21)22)27-16(28-18(15)29)13-5-3-4-7-23-13;1-13-12-16-18(20-13)22-17(14-8-4-2-5-9-14)23-19(16)21-15-10-6-3-7-11-15;1-13-12-16-17(14-8-4-2-5-9-14)22-19(23-18(16)20-13)21-15-10-6-3-7-11-15;1-3-7-12(8-4-1)15-21-16-14(18-11-19-16)17(22-15)20-13-9-5-2-6-10-13/h4-12H,1-3H3,(H,24,26,27,28);3-11H,1-2H3,(H,24,26,27,28);2*2-12H,1H3,(H2,20,21,22,23);1-11H,(H2,18,19,20,21,22)
• InChIKey: XKSQUFUPKQTUOV-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 336.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1682.85
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine?

The IUPAC name of N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine (CID 165095474) is N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine.

What is the SMILES notation for N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine?

The canonical SMILES for N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine is CC(C)n1cnc2c(Nc3ccnc(C(C)(F)F)c3)nc(-c3ccncc3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3ccccn3)nc21.Cc1cc2c(-c3ccccc3)nc(Nc3ccccc3)nc2[nH]1.Cc1cc2c(Nc3ccccc3)nc(-c3ccccc3)nc2[nH]1.c1ccc(Nc2nc(-c3ccccc3)nc3nc[nH]c23)cc1.

What is the InChIKey of N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine?

The InChIKey is XKSQUFUPKQTUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7.C19H16F3N7.2C19H16N4.C17H13N5/c1-12(2)29-11-25-16-18(26-14-6-9-24-15(10-14)20(3,21)22)27-17(28-19(16)29)13-4-7-23-8-5-13;1-11(2)29-10-25-15-17(26-12-6-8-24-14(9-12)19(20,21)22)27-16(28-18(15)29)13-5-3-4-7-23-13;1-13-12-16-18(20-13)22-17(14-8-4-2-5-9-14)23-19(16)21-15-10-6-3-7-11-15;1-13-12-16-17(14-8-4-2-5-9-14)22-19(23-18(16)20-13)21-15-10-6-3-7-11-15;1-3-7-12(8-4-1)15-21-16-14(18-11-19-16)17(22-15)20-13-9-5-2-6-10-13/h4-12H,1-3H3,(H,24,26,27,28);3-11H,1-2H3,(H,24,26,27,28);2*2-12H,1H3,(H2,20,21,22,23);1-11H,(H2,18,19,20,21,22).

What are the key properties of N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine?

N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine has a molecular weight of 1682.85 g/mol, XLogP of 22.46, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,1-difluoroethyl)-4-pyridinyl]-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine;N,2-diphenyl-7H-purin-6-amine;6-methyl-N,2-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;9-propan-2-yl-2-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine is sourced from PubChem (CID 165095474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).