(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine

C₉H₁₁F₃N₄ — CID 56965616

About (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine

(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 56965616) has the molecular formula C₉H₁₁F₃N₄ and a molecular weight of 232.21 g/mol. Its IUPAC name is (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine
• PubChem CID: 56965616
• Molecular Formula: C₉H₁₁F₃N₄
• Molecular Weight: 232.21 g/mol
• Exact Mass: 232.09
• IUPAC Name: (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine
• SMILES: N[C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1
• InChI: InChI=1S/C9H11F3N4/c10-9(11,12)7-3-8(15-5-14-7)16-2-1-6(13)4-16/h3,5-6H,1-2,4,13H2/t6-/m1/s1
• InChIKey: IASFYHSTCPJRQG-ZCFIWIBFSA-N
• XLogP: 1.03
• TPSA: 55.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.21
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine?

The IUPAC name of (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine (CID 56965616) is (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine.

What is the SMILES notation for (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine?

The canonical SMILES for (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine is N[C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1.

What is the InChIKey of (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine?

The InChIKey is IASFYHSTCPJRQG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)7-3-8(15-5-14-7)16-2-1-6(13)4-16/h3,5-6H,1-2,4,13H2/t6-/m1/s1.

What are the key properties of (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine?

(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 232.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 56965616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 56965616 — identifiers, structure, computed properties (public domain)

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