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

C12H18ClN3O — CID 104984134

IUPAC[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
SMILESC[C@@H]1CN(c2cc(CN)c(Cl)cn2)C[C@H](C)O1
InChIInChI=1S/C12H18ClN3O/c1-8-6-16(7-9(2)17-8)12-3-10(4-14)11(13)5-15-12/h3,5,8-9H,4,6-7,14H2,1-2H3/t8-,9+
InChIKeyQDVKUPDZTBKIQO-DTORHVGOSA-N
MW255.75 g/mol
LogP1.81
Rot. Bonds2

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

[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine (PubChem CID 104984134) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
PubChem CID104984134
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
SMILESC[C@@H]1CN(c2cc(CN)c(Cl)cn2)C[C@H](C)O1
InChIInChI=1S/C12H18ClN3O/c1-8-6-16(7-9(2)17-8)12-3-10(4-14)11(13)5-15-12/h3,5,8-9H,4,6-7,14H2,1-2H3/t8-,9+
InChIKeyQDVKUPDZTBKIQO-DTORHVGOSA-N
XLogP1.81
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 114925011
N-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]propan-2-amine
CID 104984142
[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114927096
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114926413
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyridin-4-amine
CID 104957780
[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine
CID 62299635
[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine
CID 114926672
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-4-pyridinyl]methanamine
CID 114926380
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-amine
CID 77459584
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine?
The IUPAC name of [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine (CID 104984134) is [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine is C[C@@H]1CN(c2cc(CN)c(Cl)cn2)C[C@H](C)O1.
What is the InChIKey of [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine?
The InChIKey is QDVKUPDZTBKIQO-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-6-16(7-9(2)17-8)12-3-10(4-14)11(13)5-15-12/h3,5,8-9H,4,6-7,14H2,1-2H3/t8-,9+.
What are the key properties of [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine?
[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine has a molecular weight of 255.75 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine is sourced from PubChem (CID 104984134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).