35980-77-9 2-Morpholinopyridin-4-amine

Introduction

CAS No. :	35980-77-9	MDL No. :	MFCD02945666
Formula :	C9H13N3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ZSXQDGMZXKOADT-UHFFFAOYSA-N
M.W :	179.22	Pubchem ID :	23818810
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.44
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	54.37
TPSA :	51.38 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.43
Log Po/w (XLOGP3) :	0.25
Log Po/w (WLOGP) :	0.13
Log Po/w (MLOGP) :	0.08
Log Po/w (SILICOS-IT) :	0.73
Consensus Log Po/w :	0.52

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.38
Solubility :	7.4 mg/ml ; 0.0413 mol/l
Class :	Very soluble
Log S (Ali) :	-0.89
Solubility :	23.1 mg/ml ; 0.129 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.85
Solubility :	2.53 mg/ml ; 0.0141 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.13

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

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