2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine

C₁₄H₁₄F₂IN₃ — CID 66300719

About 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300719) has the molecular formula C₁₄H₁₄F₂IN₃ and a molecular weight of 389.19 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
• PubChem CID: 66300719
• Molecular Formula: C₁₄H₁₄F₂IN₃
• Molecular Weight: 389.19 g/mol
• Exact Mass: 389.02
• IUPAC Name: 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
• SMILES: CC(C)c1nc(Cc2ccc(F)cc2F)nc(N)c1I
• InChI: InChI=1S/C14H14F2IN3/c1-7(2)13-12(17)14(18)20-11(19-13)5-8-3-4-9(15)6-10(8)16/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20)
• InChIKey: RWYODQFSWLOIKZ-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 51.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.19
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?

The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66300719) is 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.

What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?

The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cc2ccc(F)cc2F)nc(N)c1I.

What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?

The InChIKey is RWYODQFSWLOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3/c1-7(2)13-12(17)14(18)20-11(19-13)5-8-3-4-9(15)6-10(8)16/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20).

What are the key properties of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?

2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 389.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66300719 — identifiers, structure, computed properties (public domain)

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