74290-66-7 3,5-Dibromo-6-methylpyrazin-2-amine

Introduction

CAS No. :	74290-66-7	MDL No. :	MFCD08705764
Formula :	C5H5Br2N3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	AWBLTDFTDYGFGJ-UHFFFAOYSA-N
M.W :	266.92	Pubchem ID :	21785146
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.2
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	46.8
TPSA :	51.8 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.79
Log Po/w (XLOGP3) :	1.88
Log Po/w (WLOGP) :	1.9
Log Po/w (MLOGP) :	0.88
Log Po/w (SILICOS-IT) :	2.03
Consensus Log Po/w :	1.7

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.12
Solubility :	0.201 mg/ml ; 0.000753 mol/l
Class :	Soluble
Log S (Ali) :	-2.59
Solubility :	0.686 mg/ml ; 0.00257 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.39
Solubility :	0.109 mg/ml ; 0.00041 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.4

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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