2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine

C11H16N4O — CID 176689397

IUPAC2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine
SMILESC=C[C@H]1CN(c2nc(C)cc(N)n2)CCO1
InChIInChI=1S/C11H16N4O/c1-3-9-7-15(4-5-16-9)11-13-8(2)6-10(12)14-11/h3,6,9H,1,4-5,7H2,2H3,(H2,12,13,14)/t9-/m0/s1
InChIKeyFOXXZLHFXGPSRI-VIFPVBQESA-N
MW220.28 g/mol
LogP0.76
Rot. Bonds2

About 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine

2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 176689397) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID176689397
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine
SMILESC=C[C@H]1CN(c2nc(C)cc(N)n2)CCO1
InChIInChI=1S/C11H16N4O/c1-3-9-7-15(4-5-16-9)11-13-8(2)6-10(12)14-11/h3,6,9H,1,4-5,7H2,2H3,(H2,12,13,14)/t9-/m0/s1
InChIKeyFOXXZLHFXGPSRI-VIFPVBQESA-N
XLogP0.76
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine (CID 176689397) is 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine is C=C[C@H]1CN(c2nc(C)cc(N)n2)CCO1.
What is the InChIKey of 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is FOXXZLHFXGPSRI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9-7-15(4-5-16-9)11-13-8(2)6-10(12)14-11/h3,6,9H,1,4-5,7H2,2H3,(H2,12,13,14)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine?
2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 220.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 176689397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).