6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine

C12H20N4O — CID 104961748

IUPAC6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C12H20N4O/c1-8-5-16(6-9(2)17-8)12-10(3)11(13-4)14-7-15-12/h7-9H,5-6H2,1-4H3,(H,13,14,15)/t8-,9+
InChIKeyJQIYBGRTEDKDBG-DTORHVGOSA-N
MW236.32 g/mol
LogP1.44
Rot. Bonds2

About 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine (PubChem CID 104961748) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine
PubChem CID104961748
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C12H20N4O/c1-8-5-16(6-9(2)17-8)12-10(3)11(13-4)14-7-15-12/h7-9H,5-6H2,1-4H3,(H,13,14,15)/t8-,9+
InChIKeyJQIYBGRTEDKDBG-DTORHVGOSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine (CID 104961748) is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1C.
What is the InChIKey of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine?
The InChIKey is JQIYBGRTEDKDBG-DTORHVGOSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-16(6-9(2)17-8)12-10(3)11(13-4)14-7-15-12/h7-9H,5-6H2,1-4H3,(H,13,14,15)/t8-,9+.
What are the key properties of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine?
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 104961748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).