4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine

C11H18FN3O — CID 14717235

IUPAC4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine
SMILESCCCCCCNc1nc(F)cc(OC)n1
InChIInChI=1S/C11H18FN3O/c1-3-4-5-6-7-13-11-14-9(12)8-10(15-11)16-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyGYRCQGUYKZLWJA-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.62
Rot. Bonds7

About 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine

4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine (PubChem CID 14717235) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine
PubChem CID14717235
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine
SMILESCCCCCCNc1nc(F)cc(OC)n1
InChIInChI=1S/C11H18FN3O/c1-3-4-5-6-7-13-11-14-9(12)8-10(15-11)16-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyGYRCQGUYKZLWJA-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine (CID 14717235) is 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine is CCCCCCNc1nc(F)cc(OC)n1.
What is the InChIKey of 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine?
The InChIKey is GYRCQGUYKZLWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-3-4-5-6-7-13-11-14-9(12)8-10(15-11)16-2/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine?
4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine has a molecular weight of 227.28 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hexyl-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 14717235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).