4-Amino-6-hydroxypyrimidine

Introduction

CAS No. :	1193-22-2	MDL No. :	MFCD00051502
Formula :	C4H5N3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HFMLLTVIMFEQRE-UHFFFAOYSA-N
M.W :	111.10	Pubchem ID :	135431272
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	29.26
TPSA :	71.77 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) :	-7.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.13
Log Po/w (XLOGP3) :	-1.18
Log Po/w (WLOGP) :	-0.64
Log Po/w (MLOGP) :	-1.26
Log Po/w (SILICOS-IT) :	0.49
Consensus Log Po/w :	-0.49

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.34
Solubility :	50.7 mg/ml ; 0.457 mol/l
Class :	Very soluble
Log S (Ali) :	0.17
Solubility :	163.0 mg/ml ; 1.47 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-1.14
Solubility :	8.07 mg/ml ; 0.0726 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.52

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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