(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone

C12H16BrN3O2 — CID 62155154

IUPAC(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)cnc2N)C(C)CO1
InChIInChI=1S/C12H16BrN3O2/c1-7-6-18-8(2)5-16(7)12(17)10-3-9(13)4-15-11(10)14/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15)
InChIKeyNRUOHNZGSXAQRO-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.68
Rot. Bonds1

About (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone

(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 62155154) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID62155154
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)cnc2N)C(C)CO1
InChIInChI=1S/C12H16BrN3O2/c1-7-6-18-8(2)5-16(7)12(17)10-3-9(13)4-15-11(10)14/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15)
InChIKeyNRUOHNZGSXAQRO-UHFFFAOYSA-N
XLogP1.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-bromo-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55141157
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968760
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(4-chloro-6-methyl-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81226044
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 106852628
(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103989123
(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 104851930
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 62155154) is (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Br)cnc2N)C(C)CO1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is NRUOHNZGSXAQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7-6-18-8(2)5-16(7)12(17)10-3-9(13)4-15-11(10)14/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62155154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).