5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine

C13H20BrN3O — CID 75514222

IUPAC5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
SMILESCc1cc(NC(C)CN2CCOCC2)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-10-7-13(15-8-12(10)14)16-11(2)9-17-3-5-18-6-4-17/h7-8,11H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyULPCNJJLEOVWLT-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine

5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine (PubChem CID 75514222) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
PubChem CID75514222
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
SMILESCc1cc(NC(C)CN2CCOCC2)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-10-7-13(15-8-12(10)14)16-11(2)9-17-3-5-18-6-4-17/h7-8,11H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyULPCNJJLEOVWLT-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine (CID 75514222) is 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine is Cc1cc(NC(C)CN2CCOCC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is ULPCNJJLEOVWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-10-7-13(15-8-12(10)14)16-11(2)9-17-3-5-18-6-4-17/h7-8,11H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine?
5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-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-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 75514222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).