5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine

C26H32FN7O3 — CID 121335874

About 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine

5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 121335874) has the molecular formula C26H32FN7O3 and a molecular weight of 509.59 g/mol. Its IUPAC name is 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
• PubChem CID: 121335874
• Molecular Formula: C26H32FN7O3
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.26
• IUPAC Name: 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
• SMILES: Fc1c(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncnc1NC1CCOC1
• InChI: InChI=1S/C26H32FN7O3/c27-23-25(30-16-31-26(23)33-18-5-10-36-15-18)32-17-1-3-20(4-2-17)37-22-14-19(34-8-11-35-12-9-34)13-21-24(22)29-7-6-28-21/h6-7,13-14,16-18,20H,1-5,8-12,15H2,(H2,30,31,32,33)
• InChIKey: INDQYVJKOUDSSY-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 106.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine?

The IUPAC name of 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine (CID 121335874) is 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine.

What is the SMILES notation for 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine?

The canonical SMILES for 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine is Fc1c(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncnc1NC1CCOC1.

What is the InChIKey of 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine?

The InChIKey is INDQYVJKOUDSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O3/c27-23-25(30-16-31-26(23)33-18-5-10-36-15-18)32-17-1-3-20(4-2-17)37-22-14-19(34-8-11-35-12-9-34)13-21-24(22)29-7-6-28-21/h6-7,13-14,16-18,20H,1-5,8-12,15H2,(H2,30,31,32,33).

What are the key properties of 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine?

5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 509.59 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 121335874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).