5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine

C20H26N8O3 — CID 170394658

About 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine

5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (PubChem CID 170394658) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
• PubChem CID: 170394658
• Molecular Formula: C20H26N8O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.21
• IUPAC Name: 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
• SMILES: COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
• InChI: InChI=1S/C20H26N8O3/c1-29-16-11-21-19(22-12-16)25-14-2-4-15(5-3-14)31-20-26-18(27-6-8-30-9-7-27)10-17-23-13-24-28(17)20/h10-15H,2-9H2,1H3,(H,21,22,25)
• InChIKey: MPBMZBKJQNVYFB-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 111.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?

The IUPAC name of 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (CID 170394658) is 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.

What is the SMILES notation for 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?

The canonical SMILES for 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1.

What is the InChIKey of 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?

The InChIKey is MPBMZBKJQNVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3/c1-29-16-11-21-19(22-12-16)25-14-2-4-15(5-3-14)31-20-26-18(27-6-8-30-9-7-27)10-17-23-13-24-28(17)20/h10-15H,2-9H2,1H3,(H,21,22,25).

What are the key properties of 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?

5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine has a molecular weight of 426.48 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 170394658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).