2,5-Dimethyl-3-pyridinamine - CAS 89943-02-2

Catalog:	BB066882
Product Name:	2,5-Dimethyl-3-pyridinamine
CAS:	89943-02-2
Synonyms:	3-Amino-2,5-lutidine; 2,5-Dimethylpyridin-3-amine; 3-Amino-2,5-dimethylpyridine

Technical Data

IUPAC Name:	2,5-dimethylpyridin-3-amine
Description:	2,5-Dimethyl-3-pyridinamine is a general reagent used in the synthesis of pharmaceuticals such as CCR9 and CCR10 modulators.
Molecular Weight:	122.17
Molecular Formula:	C7H10N2
Canonical SMILES:	CC1=CC(=C(N=C1)C)N
InChI:	InChI=1S/C7H10N2/c1-5-3-7(8)6(2)9-4-5/h3-4H,8H2,1-2H3
InChI Key:	OQLYLAOKFUUBBI-UHFFFAOYSA-N
References:	Uchida, K. et al. Preparation of nitrogen- containing heterocyclic compounds such as pyridine derivatives as antagonists of chemokine receptor CCR10, WO Patent 2014084330, Jun 5, 2014; Bakthavatchalam, R. et al. 4- (Arylsulfonylamino) isoindoline- 1, 3- dione compounds useful as CCR9 modulators and their preparation, WO Patent 201597121, Dec 22 2014,.

Complexity:	92.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.084398327
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.084398327
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9