6-Methylpyridin-2-amine

Introduction

CAS No. :	1824-81-3	MDL No. :	MFCD00006331
Formula :	C6H8N2	Boiling Point :	No data available
Linear Structure Formula :	NC5H3(NH2)(CH3)	InChI Key :	QUXLCYFNVNNRBE-UHFFFAOYSA-N
M.W :	108.14	Pubchem ID :	15765
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	33.61
TPSA :	38.91 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.65 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.26
Log Po/w (XLOGP3) :	0.44
Log Po/w (WLOGP) :	0.98
Log Po/w (MLOGP) :	0.54
Log Po/w (SILICOS-IT) :	1.14
Consensus Log Po/w :	0.87

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.34
Solubility :	4.91 mg/ml ; 0.0454 mol/l
Class :	Very soluble
Log S (Ali) :	-0.82
Solubility :	16.2 mg/ml ; 0.15 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.99
Solubility :	1.11 mg/ml ; 0.0103 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.18

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P262-P264-P280-P337+P313-P301+P310+P330-P302+P352+P310	UN#:	2811
Hazard Statements:	H310-H301-H315-H319	Packing Group:	Ⅱ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine