5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine

C13H20BrN3O — CID 115693777

IUPAC5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
SMILESCCN1CCOC(CNc2ncc(Br)cc2C)C1
InChIInChI=1S/C13H20BrN3O/c1-3-17-4-5-18-12(9-17)8-16-13-10(2)6-11(14)7-15-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyAJNYKFCWBFNFAG-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine

5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine (PubChem CID 115693777) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
PubChem CID115693777
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
SMILESCCN1CCOC(CNc2ncc(Br)cc2C)C1
InChIInChI=1S/C13H20BrN3O/c1-3-17-4-5-18-12(9-17)8-16-13-10(2)6-11(14)7-15-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyAJNYKFCWBFNFAG-UHFFFAOYSA-N
XLogP2.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114400346
7-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-1,5-naphthyridin-4-amine
CID 116646580
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 114401197
5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114401101
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136958124
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 113235638
N-[(4-ethylmorpholin-2-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 114253529
6-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 103880098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine (CID 115693777) is 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine is CCN1CCOC(CNc2ncc(Br)cc2C)C1.
What is the InChIKey of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine?
The InChIKey is AJNYKFCWBFNFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-17-4-5-18-12(9-17)8-16-13-10(2)6-11(14)7-15-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine?
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine has a molecular weight of 314.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 115693777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).