19810-79-8 2-Morpholinopyrimidin-4-ol

Introduction

CAS No. :	19810-79-8	MDL No. :	MFCD00234443
Formula :	C8H11N3O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KWNBVCKOPJXOIC-UHFFFAOYSA-N
M.W :	181.19	Pubchem ID :	1404213
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	49.78
TPSA :	58.48 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) :	-6.84 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.04
Log Po/w (XLOGP3) :	0.8
Log Po/w (WLOGP) :	-0.36
Log Po/w (MLOGP) :	-0.26
Log Po/w (SILICOS-IT) :	0.47
Consensus Log Po/w :	0.54

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.74
Solubility :	3.27 mg/ml ; 0.0181 mol/l
Class :	Very soluble
Log S (Ali) :	-1.61
Solubility :	4.45 mg/ml ; 0.0246 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.26
Solubility :	9.89 mg/ml ; 0.0546 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.18

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

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