5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine

C₁₇H₂₁FN₄S — CID 121292872

About 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine

5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 121292872) has the molecular formula C₁₇H₂₁FN₄S and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine
• PubChem CID: 121292872
• Molecular Formula: C₁₇H₂₁FN₄S
• Molecular Weight: 332.45 g/mol
• Exact Mass: 332.15
• IUPAC Name: 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine
• SMILES: CCCc1nc(N)nc(N2CCSCC2)c1-c1ccc(F)cc1
• InChI: InChI=1S/C17H21FN4S/c1-2-3-14-15(12-4-6-13(18)7-5-12)16(21-17(19)20-14)22-8-10-23-11-9-22/h4-7H,2-3,8-11H2,1H3,(H2,19,20,21)
• InChIKey: SHVLOFCZNAVHBS-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 55.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.45
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine?

The IUPAC name of 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine (CID 121292872) is 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine.

What is the SMILES notation for 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine?

The canonical SMILES for 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine is CCCc1nc(N)nc(N2CCSCC2)c1-c1ccc(F)cc1.

What is the InChIKey of 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine?

The InChIKey is SHVLOFCZNAVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4S/c1-2-3-14-15(12-4-6-13(18)7-5-12)16(21-17(19)20-14)22-8-10-23-11-9-22/h4-7H,2-3,8-11H2,1H3,(H2,19,20,21).

What are the key properties of 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine?

5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 332.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 121292872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121292872 — identifiers, structure, computed properties (public domain)

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