4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine

C21H29F2N7O3 — CID 167052362

About 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine

4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine (PubChem CID 167052362) has the molecular formula C21H29F2N7O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
• PubChem CID: 167052362
• Molecular Formula: C21H29F2N7O3
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.23
• IUPAC Name: 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
• SMILES: COCC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1
• InChI: InChI=1S/C21H29F2N7O3/c1-13-11-32-7-4-29(13)20-26-19(16-10-25-17(24)9-15(16)18(22)23)27-21(28-20)30-5-8-33-12-14(30)3-6-31-2/h9-10,13-14,18H,3-8,11-12H2,1-2H3,(H2,24,25)/t13-,14-/m1/s1
• InChIKey: GBMFLILWBLHIMH-ZIAGYGMSSA-N
• XLogP: 1.92
• TPSA: 111.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine?

The IUPAC name of 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine (CID 167052362) is 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine.

What is the SMILES notation for 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine?

The canonical SMILES for 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine is COCC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1.

What is the InChIKey of 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine?

The InChIKey is GBMFLILWBLHIMH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H29F2N7O3/c1-13-11-32-7-4-29(13)20-26-19(16-10-25-17(24)9-15(16)18(22)23)27-21(28-20)30-5-8-33-12-14(30)3-6-31-2/h9-10,13-14,18H,3-8,11-12H2,1-2H3,(H2,24,25)/t13-,14-/m1/s1.

What are the key properties of 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine?

4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine has a molecular weight of 465.51 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 167052362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).