N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine

C12H19BrN4O — CID 91170069

IUPACN-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine
SMILESCCN(Cc1cc(Br)cnc1N)N1CCOCC1
InChIInChI=1S/C12H19BrN4O/c1-2-16(17-3-5-18-6-4-17)9-10-7-11(13)8-15-12(10)14/h7-8H,2-6,9H2,1H3,(H2,14,15)
InChIKeyLGDLZVANXHFVLI-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.50
Rot. Bonds4

About N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine

N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine (PubChem CID 91170069) has the molecular formula C12H19BrN4O and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine.

Molecular Properties

Compound NameN-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine
PubChem CID91170069
Molecular FormulaC12H19BrN4O
Molecular Weight315.21 g/mol
Exact Mass314.07
IUPAC NameN-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine
SMILESCCN(Cc1cc(Br)cnc1N)N1CCOCC1
InChIInChI=1S/C12H19BrN4O/c1-2-16(17-3-5-18-6-4-17)9-10-7-11(13)8-15-12(10)14/h7-8H,2-6,9H2,1H3,(H2,14,15)
InChIKeyLGDLZVANXHFVLI-UHFFFAOYSA-N
XLogP1.50
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine?
The IUPAC name of N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine (CID 91170069) is N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine.
What is the SMILES notation for N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine?
The canonical SMILES for N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine is CCN(Cc1cc(Br)cnc1N)N1CCOCC1.
What is the InChIKey of N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine?
The InChIKey is LGDLZVANXHFVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-2-16(17-3-5-18-6-4-17)9-10-7-11(13)8-15-12(10)14/h7-8H,2-6,9H2,1H3,(H2,14,15).
What are the key properties of N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine?
N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine has a molecular weight of 315.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-bromo-3-pyridinyl)methyl]-N-ethylmorpholin-4-amine is sourced from PubChem (CID 91170069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).