2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide

C20H25N9O3 — CID 170394667

About 2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide

2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 170394667) has the molecular formula C20H25N9O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide
• PubChem CID: 170394667
• Molecular Formula: C20H25N9O3
• Molecular Weight: 439.48 g/mol
• Exact Mass: 439.21
• IUPAC Name: 2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide
• SMILES: NC(=O)c1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
• InChI: InChI=1S/C20H25N9O3/c21-18(30)13-10-22-19(23-11-13)26-14-1-3-15(4-2-14)32-20-27-17(28-5-7-31-8-6-28)9-16-24-12-25-29(16)20/h9-12,14-15H,1-8H2,(H2,21,30)(H,22,23,26)
• InChIKey: SDGOOXJBZQCOPH-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 145.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.48
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide (CID 170394667) is 2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide.

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

The canonical SMILES for 2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1.

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

The InChIKey is SDGOOXJBZQCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9O3/c21-18(30)13-10-22-19(23-11-13)26-14-1-3-15(4-2-14)32-20-27-17(28-5-7-31-8-6-28)9-16-24-12-25-29(16)20/h9-12,14-15H,1-8H2,(H2,21,30)(H,22,23,26).

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

2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 170394667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).