5-(2-Methoxyethoxy)pyrazin-2-amine

Introduction

CAS No. :	710322-71-7	MDL No. :	MFCD13193283
Formula :	C7H11N3O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HSTCWHJDAUIMAJ-UHFFFAOYSA-N
M.W :	169.18	Pubchem ID :	56763833
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.43
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	43.63
TPSA :	70.26 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.99 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.38
Log Po/w (XLOGP3) :	0.48
Log Po/w (WLOGP) :	0.09
Log Po/w (MLOGP) :	-0.99
Log Po/w (SILICOS-IT) :	0.31
Consensus Log Po/w :	0.25

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.3
Solubility :	8.53 mg/ml ; 0.0504 mol/l
Class :	Very soluble
Log S (Ali) :	-1.52
Solubility :	5.05 mg/ml ; 0.0299 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.97
Solubility :	1.83 mg/ml ; 0.0108 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.85

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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