N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine

C90H71F4N25O — CID 158895446

About N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 158895446) has the molecular formula C90H71F4N25O and a molecular weight of 1594.72 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
• PubChem CID: 158895446
• Molecular Formula: C90H71F4N25O
• Molecular Weight: 1594.72 g/mol
• Exact Mass: 1593.62
• IUPAC Name: N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
• SMILES: CCc1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1.Cc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)c(C)c1.FC(F)(F)c1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1.Fc1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1.Oc1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1
• InChI: InChI=1S/2C19H17N5.C18H12F3N5.C17H12FN5.C17H13N5O/c1-12-5-6-16(13(2)10-12)23-19-21-9-7-17(24-19)15-11-22-18-14(15)4-3-8-20-18;1-2-13-6-3-4-8-16(13)23-19-21-11-9-17(24-19)15-12-22-18-14(15)7-5-10-20-18;19-18(20,21)13-5-1-2-6-15(13)26-17-23-9-7-14(25-17)12-10-24-16-11(12)4-3-8-22-16;18-13-5-1-2-6-15(13)23-17-20-9-7-14(22-17)12-10-21-16-11(12)4-3-8-19-16;23-15-6-2-1-5-14(15)22-17-19-9-7-13(21-17)12-10-20-16-11(12)4-3-8-18-16/h3-11H,1-2H3,(H,20,22)(H,21,23,24);3-12H,2H2,1H3,(H,20,22)(H,21,23,24);1-10H,(H,22,24)(H,23,25,26);1-10H,(H,19,21)(H,20,22,23);1-10,23H,(H,18,20)(H,19,21,22)
• InChIKey: JETVKYAWCSOGHH-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 352.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1594.72
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?

The IUPAC name of N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 158895446) is N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.

What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?

The canonical SMILES for N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is CCc1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1.Cc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)c(C)c1.FC(F)(F)c1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1.Fc1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1.Oc1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1.

What is the InChIKey of N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?

The InChIKey is JETVKYAWCSOGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N5.C18H12F3N5.C17H12FN5.C17H13N5O/c1-12-5-6-16(13(2)10-12)23-19-21-9-7-17(24-19)15-11-22-18-14(15)4-3-8-20-18;1-2-13-6-3-4-8-16(13)23-19-21-11-9-17(24-19)15-12-22-18-14(15)7-5-10-20-18;19-18(20,21)13-5-1-2-6-15(13)26-17-23-9-7-14(25-17)12-10-24-16-11(12)4-3-8-22-16;18-13-5-1-2-6-15(13)23-17-20-9-7-14(22-17)12-10-21-16-11(12)4-3-8-19-16;23-15-6-2-1-5-14(15)22-17-19-9-7-13(21-17)12-10-20-16-11(12)4-3-8-18-16/h3-11H,1-2H3,(H,20,22)(H,21,23,24);3-12H,2H2,1H3,(H,20,22)(H,21,23,24);1-10H,(H,22,24)(H,23,25,26);1-10H,(H,19,21)(H,20,22,23);1-10,23H,(H,18,20)(H,19,21,22).

What are the key properties of N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?

N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 1594.72 g/mol, XLogP of 20.86, 16 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-ethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158895446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).