2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine

C11H17FN4O — CID 79668821

IUPAC2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCN1CCOC(c2nc(C)c(F)c(N)n2)C1
InChIInChI=1S/C11H17FN4O/c1-3-16-4-5-17-8(6-16)11-14-7(2)9(12)10(13)15-11/h8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyJIWHKHQYKXJFDF-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.90
Rot. Bonds2

About 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine

2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 79668821) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID79668821
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCN1CCOC(c2nc(C)c(F)c(N)n2)C1
InChIInChI=1S/C11H17FN4O/c1-3-16-4-5-17-8(6-16)11-14-7(2)9(12)10(13)15-11/h8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyJIWHKHQYKXJFDF-UHFFFAOYSA-N
XLogP0.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine (CID 79668821) is 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine is CCN1CCOC(c2nc(C)c(F)c(N)n2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is JIWHKHQYKXJFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-3-16-4-5-17-8(6-16)11-14-7(2)9(12)10(13)15-11/h8H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 240.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79668821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).