2-Amino-N-(7-methoxy-8-(3-morpholinopropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-c

Introduction

CAS No. :	1032568-63-0	MDL No. :	MFCD18633201
Formula :	C23H28N8O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MWYDSXOGIBMAET-UHFFFAOYSA-N
M.W :	480.52	Pubchem ID :	135565596
Synonyms :	BAY 80-6946	Chemical Name :	2-Amino-N-(7-methoxy-8-(3-morpholinopropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-carboxamide

Physicochemical Properties

Num. heavy atoms :	35
Num. arom. heavy atoms :	16
Fraction Csp3 :	0.43
Num. rotatable bonds :	9
Num. H-bond acceptors :	9.0
Num. H-bond donors :	2.0
Molar Refractivity :	135.45
TPSA :	142.01 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-9.43 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.64
Log Po/w (XLOGP3) :	-0.28
Log Po/w (WLOGP) :	-0.26
Log Po/w (MLOGP) :	0.2
Log Po/w (SILICOS-IT) :	1.56
Consensus Log Po/w :	0.77

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.39
Solubility :	1.97 mg/ml ; 0.0041 mol/l
Class :	Soluble
Log S (Ali) :	-2.24
Solubility :	2.75 mg/ml ; 0.00572 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.63
Solubility :	0.00112 mg/ml ; 0.00000234 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.16

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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