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

C19H23FN8O2 — CID 170394664

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

5-fluoro-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (PubChem CID 170394664) has the molecular formula C19H23FN8O2 and a molecular weight of 414.45 g/mol. Its IUPAC name is 5-fluoro-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-fluoro-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
• PubChem CID: 170394664
• Molecular Formula: C19H23FN8O2
• Molecular Weight: 414.45 g/mol
• Exact Mass: 414.19
• IUPAC Name: 5-fluoro-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
• SMILES: Fc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
• InChI: InChI=1S/C19H23FN8O2/c20-13-10-21-18(22-11-13)25-14-1-3-15(4-2-14)30-19-26-17(27-5-7-29-8-6-27)9-16-23-12-24-28(16)19/h9-12,14-15H,1-8H2,(H,21,22,25)
• InChIKey: PVXHXBUYRWWDDC-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 102.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.45
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-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-fluoro-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (CID 170394664) is 5-fluoro-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-fluoro-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-fluoro-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is Fc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1.

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

The InChIKey is PVXHXBUYRWWDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN8O2/c20-13-10-21-18(22-11-13)25-14-1-3-15(4-2-14)30-19-26-17(27-5-7-29-8-6-27)9-16-23-12-24-28(16)19/h9-12,14-15H,1-8H2,(H,21,22,25).

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

5-fluoro-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 414.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-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 170394664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).