5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine

C24H28F2N10O — CID 123166656

About 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine

5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine (PubChem CID 123166656) has the molecular formula C24H28F2N10O and a molecular weight of 510.55 g/mol. Its IUPAC name is 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine.

Molecular Properties

• Compound Name: 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
• PubChem CID: 123166656
• Molecular Formula: C24H28F2N10O
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.24
• IUPAC Name: 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
• SMILES: CN(C)CCNc1ccc(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cn1
• InChI: InChI=1S/C24H28F2N10O/c1-34(2)10-9-27-19-8-7-16(15-28-19)29-22-31-23(35-11-13-37-14-12-35)33-24(32-22)36-18-6-4-3-5-17(18)30-21(36)20(25)26/h3-8,15,20H,9-14H2,1-2H3,(H,27,28)(H,29,31,32,33)
• InChIKey: MPMGGGNOOUXYPK-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 109.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine?

The IUPAC name of 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine (CID 123166656) is 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine.

What is the SMILES notation for 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine?

The canonical SMILES for 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine is CN(C)CCNc1ccc(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cn1.

What is the InChIKey of 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine?

The InChIKey is MPMGGGNOOUXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N10O/c1-34(2)10-9-27-19-8-7-16(15-28-19)29-22-31-23(35-11-13-37-14-12-35)33-24(32-22)36-18-6-4-3-5-17(18)30-21(36)20(25)26/h3-8,15,20H,9-14H2,1-2H3,(H,27,28)(H,29,31,32,33).

What are the key properties of 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine?

5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine has a molecular weight of 510.55 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 123166656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).