2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C₁₆H₁₉F₂N₅O — CID 112887432

About 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112887432) has the molecular formula C₁₆H₁₉F₂N₅O and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
• PubChem CID: 112887432
• Molecular Formula: C₁₆H₁₉F₂N₅O
• Molecular Weight: 335.36 g/mol
• Exact Mass: 335.16
• IUPAC Name: 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
• SMILES: Fc1cccc(F)c1Nc1nccc(NCCN2CCOCC2)n1
• InChI: InChI=1S/C16H19F2N5O/c17-12-2-1-3-13(18)15(12)22-16-20-5-4-14(21-16)19-6-7-23-8-10-24-11-9-23/h1-5H,6-11H2,(H2,19,20,21,22)
• InChIKey: ADXWXISUYAVSJJ-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 62.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.36
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112887432) is 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Fc1cccc(F)c1Nc1nccc(NCCN2CCOCC2)n1.

What is the InChIKey of 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?

The InChIKey is ADXWXISUYAVSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c17-12-2-1-3-13(18)15(12)22-16-20-5-4-14(21-16)19-6-7-23-8-10-24-11-9-23/h1-5H,6-11H2,(H2,19,20,21,22).

What are the key properties of 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?

2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 335.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112887432 — identifiers, structure, computed properties (public domain)

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