5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine

C23H28FN7O2 — CID 121335706

About 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine (PubChem CID 121335706) has the molecular formula C23H28FN7O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
• PubChem CID: 121335706
• Molecular Formula: C23H28FN7O2
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.23
• IUPAC Name: 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
• SMILES: CNc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F
• InChI: InChI=1S/C23H28FN7O2/c1-25-22-18(24)14-28-23(30-22)29-15-2-4-17(5-3-15)33-20-13-16(31-8-10-32-11-9-31)12-19-21(20)27-7-6-26-19/h6-7,12-15,17H,2-5,8-11H2,1H3,(H2,25,28,29,30)
• InChIKey: DRRFOHUPESDDHL-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 97.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine?

The IUPAC name of 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine (CID 121335706) is 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine?

The canonical SMILES for 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine is CNc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F.

What is the InChIKey of 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine?

The InChIKey is DRRFOHUPESDDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O2/c1-25-22-18(24)14-28-23(30-22)29-15-2-4-17(5-3-15)33-20-13-16(31-8-10-32-11-9-31)12-19-21(20)27-7-6-26-19/h6-7,12-15,17H,2-5,8-11H2,1H3,(H2,25,28,29,30).

What are the key properties of 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine?

5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine has a molecular weight of 453.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 121335706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).