[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine

C11H18N4O — CID 104959418

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
SMILESC[C@@H]1CN(c2ncc(CN)cn2)C[C@H](C)O1
InChIInChI=1S/C11H18N4O/c1-8-6-15(7-9(2)16-8)11-13-4-10(3-12)5-14-11/h4-5,8-9H,3,6-7,12H2,1-2H3/t8-,9+
InChIKeyOHQBQGPWVCFNOP-DTORHVGOSA-N
MW222.29 g/mol
LogP0.55
Rot. Bonds2

About [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine (PubChem CID 104959418) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
PubChem CID104959418
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
SMILESC[C@@H]1CN(c2ncc(CN)cn2)C[C@H](C)O1
InChIInChI=1S/C11H18N4O/c1-8-6-15(7-9(2)16-8)11-13-4-10(3-12)5-14-11/h4-5,8-9H,3,6-7,12H2,1-2H3/t8-,9+
InChIKeyOHQBQGPWVCFNOP-DTORHVGOSA-N
XLogP0.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine (CID 104959418) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine is C[C@@H]1CN(c2ncc(CN)cn2)C[C@H](C)O1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine?
The InChIKey is OHQBQGPWVCFNOP-DTORHVGOSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-15(7-9(2)16-8)11-13-4-10(3-12)5-14-11/h4-5,8-9H,3,6-7,12H2,1-2H3/t8-,9+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 104959418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).