4-Hydroxy-6-hydrazinylpyrimidine

Introduction

CAS No. :	29939-37-5	MDL No. :	MFCD02695912
Formula :	C4H6N4O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SOZMLVZVUQOOND-UHFFFAOYSA-N
M.W :	126.12	Pubchem ID :	135482525
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	31.26
TPSA :	84.06 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) :	-7.25 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.73
Log Po/w (XLOGP3) :	-0.25
Log Po/w (WLOGP) :	-0.72
Log Po/w (MLOGP) :	-0.92
Log Po/w (SILICOS-IT) :	-0.91
Consensus Log Po/w :	-0.41

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.89
Solubility :	16.2 mg/ml ; 0.128 mol/l
Class :	Very soluble
Log S (Ali) :	-1.06
Solubility :	11.1 mg/ml ; 0.0877 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.73
Solubility :	23.6 mg/ml ; 0.187 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.87

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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