4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine

C21H22FN5O2 — CID 135150529

About 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine

4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine (PubChem CID 135150529) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine.

Molecular Properties

• Compound Name: 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
• PubChem CID: 135150529
• Molecular Formula: C21H22FN5O2
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.18
• IUPAC Name: 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
• SMILES: COc1ccc(OC2CCN(c3ncnc(-c4ccc(F)nc4)c3C)CC2)cn1
• InChI: InChI=1S/C21H22FN5O2/c1-14-20(15-3-5-18(22)23-11-15)25-13-26-21(14)27-9-7-16(8-10-27)29-17-4-6-19(28-2)24-12-17/h3-6,11-13,16H,7-10H2,1-2H3
• InChIKey: CYNISMGYOAOVHG-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 73.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine?

The IUPAC name of 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine (CID 135150529) is 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine.

What is the SMILES notation for 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine?

The canonical SMILES for 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine is COc1ccc(OC2CCN(c3ncnc(-c4ccc(F)nc4)c3C)CC2)cn1.

What is the InChIKey of 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine?

The InChIKey is CYNISMGYOAOVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14-20(15-3-5-18(22)23-11-15)25-13-26-21(14)27-9-7-16(8-10-27)29-17-4-6-19(28-2)24-12-17/h3-6,11-13,16H,7-10H2,1-2H3.

What are the key properties of 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine?

4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine has a molecular weight of 395.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 135150529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).