5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H15F4N3 — CID 14112678

IUPAC5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCCCc1nc(N)nc(C(F)(F)F)c1F
InChIInChI=1S/C11H15F4N3/c1-2-3-4-5-6-7-8(12)9(11(13,14)15)18-10(16)17-7/h2-6H2,1H3,(H2,16,17,18)
InChIKeyOPIOIOZNVLJVCW-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.34
Rot. Bonds5

About 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine

5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 14112678) has the molecular formula C11H15F4N3 and a molecular weight of 265.25 g/mol. Its IUPAC name is 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID14112678
Molecular FormulaC11H15F4N3
Molecular Weight265.25 g/mol
Exact Mass265.12
IUPAC Name5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCCCc1nc(N)nc(C(F)(F)F)c1F
InChIInChI=1S/C11H15F4N3/c1-2-3-4-5-6-7-8(12)9(11(13,14)15)18-10(16)17-7/h2-6H2,1H3,(H2,16,17,18)
InChIKeyOPIOIOZNVLJVCW-UHFFFAOYSA-N
XLogP3.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 14112678) is 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCCCCc1nc(N)nc(C(F)(F)F)c1F.
What is the InChIKey of 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OPIOIOZNVLJVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3/c1-2-3-4-5-6-7-8(12)9(11(13,14)15)18-10(16)17-7/h2-6H2,1H3,(H2,16,17,18).
What are the key properties of 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine?
5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 265.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 14112678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).