5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C25H30N8O2 — CID 121335896

About 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121335896) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 121335896
• Molecular Formula: C25H30N8O2
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.25
• IUPAC Name: 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• SMILES: Cc1cc(C)n2nc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2n1
• InChI: InChI=1S/C25H30N8O2/c1-16-13-17(2)33-25(28-16)30-24(31-33)29-18-3-5-20(6-4-18)35-22-15-19(32-9-11-34-12-10-32)14-21-23(22)27-8-7-26-21/h7-8,13-15,18,20H,3-6,9-12H2,1-2H3,(H,29,31)
• InChIKey: CHYWIIQWJFUGIK-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 102.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121335896) is 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C)n2nc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2n1.

What is the InChIKey of 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is CHYWIIQWJFUGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-16-13-17(2)33-25(28-16)30-24(31-33)29-18-3-5-20(6-4-18)35-22-15-19(32-9-11-34-12-10-32)14-21-23(22)27-8-7-26-21/h7-8,13-15,18,20H,3-6,9-12H2,1-2H3,(H,29,31).

What are the key properties of 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 474.57 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121335896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).