N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C₁₇H₂₄F₃N₃ — CID 177059891

About N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine

N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 177059891) has the molecular formula C₁₇H₂₄F₃N₃ and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
• PubChem CID: 177059891
• Molecular Formula: C₁₇H₂₄F₃N₃
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.19
• IUPAC Name: N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
• SMILES: C=CC1(CN(CC)c2cc(C)nc(C(F)(F)F)n2)CCCCC1
• InChI: InChI=1S/C17H24F3N3/c1-4-16(9-7-6-8-10-16)12-23(5-2)14-11-13(3)21-15(22-14)17(18,19)20/h4,11H,1,5-10,12H2,2-3H3
• InChIKey: BGMFYVIOJVTCKG-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?

The IUPAC name of N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 177059891) is N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

What is the SMILES notation for N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?

The canonical SMILES for N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine is C=CC1(CN(CC)c2cc(C)nc(C(F)(F)F)n2)CCCCC1.

What is the InChIKey of N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?

The InChIKey is BGMFYVIOJVTCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3/c1-4-16(9-7-6-8-10-16)12-23(5-2)14-11-13(3)21-15(22-14)17(18,19)20/h4,11H,1,5-10,12H2,2-3H3.

What are the key properties of N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?

N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 177059891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177059891 — identifiers, structure, computed properties (public domain)

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