N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine

C26H24F2N6 — CID 135333232

About N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine

N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 135333232) has the molecular formula C26H24F2N6 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine
• PubChem CID: 135333232
• Molecular Formula: C26H24F2N6
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.20
• IUPAC Name: N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine
• SMILES: Cc1ncc(-c2ccc(-c3cc(NCCn4c(C)cc5c(C)cc(F)c(F)c54)ncn3)cc2)[nH]1
• InChI: InChI=1S/C26H24F2N6/c1-15-10-21(27)25(28)26-20(15)11-16(2)34(26)9-8-29-24-12-22(31-14-32-24)18-4-6-19(7-5-18)23-13-30-17(3)33-23/h4-7,10-14H,8-9H2,1-3H3,(H,30,33)(H,29,31,32)
• InChIKey: ZJYNWOYILQHNNL-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 71.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine?

The IUPAC name of N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine (CID 135333232) is N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine.

What is the SMILES notation for N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine?

The canonical SMILES for N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine is Cc1ncc(-c2ccc(-c3cc(NCCn4c(C)cc5c(C)cc(F)c(F)c54)ncn3)cc2)[nH]1.

What is the InChIKey of N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine?

The InChIKey is ZJYNWOYILQHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6/c1-15-10-21(27)25(28)26-20(15)11-16(2)34(26)9-8-29-24-12-22(31-14-32-24)18-4-6-19(7-5-18)23-13-30-17(3)33-23/h4-7,10-14H,8-9H2,1-3H3,(H,30,33)(H,29,31,32).

What are the key properties of N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine?

N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 458.52 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 135333232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).