2-Amino-5-bromopyrimidin-4-ol hydrobromide

Introduction

CAS No. :	1215597-17-3	MDL No. :	MFCD12923111
Formula :	C4H5Br2N3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	-
M.W :	270.91	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	46.2
TPSA :	72.03 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) :	-6.89 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.49
Log Po/w (WLOGP) :	1.49
Log Po/w (MLOGP) :	0.51
Log Po/w (SILICOS-IT) :	0.55
Consensus Log Po/w :	0.81

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.9
Solubility :	0.339 mg/ml ; 0.00125 mol/l
Class :	Soluble
Log S (Ali) :	-2.61
Solubility :	0.665 mg/ml ; 0.00245 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.57
Solubility :	7.24 mg/ml ; 0.0267 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.87

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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