5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine

C12H17BrN2O — CID 115774207

IUPAC5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
SMILESCc1cc(N(C)C2CCOCC2)ncc1Br
InChIInChI=1S/C12H17BrN2O/c1-9-7-12(14-8-11(9)13)15(2)10-3-5-16-6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyKCDXHUITZRKXKK-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.77
Rot. Bonds2

About 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine

5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 115774207) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
PubChem CID115774207
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
SMILESCc1cc(N(C)C2CCOCC2)ncc1Br
InChIInChI=1S/C12H17BrN2O/c1-9-7-12(14-8-11(9)13)15(2)10-3-5-16-6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyKCDXHUITZRKXKK-UHFFFAOYSA-N
XLogP2.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine
CID 114869040
6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 61279787
5-bromo-3-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 103580325
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
5-bromo-N-cyclohexyl-N-ethyl-4-methylpyridin-2-amine
CID 53410747
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide
CID 67126422
2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79173042
2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675205
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 43611328

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine (CID 115774207) is 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine is Cc1cc(N(C)C2CCOCC2)ncc1Br.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is KCDXHUITZRKXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-7-12(14-8-11(9)13)15(2)10-3-5-16-6-4-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine?
5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 285.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 115774207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).