6-Amino-2-methoxypyrimidin-4-ol

Introduction

CAS No. :	186435-66-5	MDL No. :	MFCD00068842
Formula :	C5H7N3O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	YRLXSZNYIJKRDL-UHFFFAOYSA-N
M.W :	141.13	Pubchem ID :	135404214
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.2
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	34.95
TPSA :	81.26 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) :	-7.06 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.23
Log Po/w (XLOGP3) :	0.14
Log Po/w (WLOGP) :	-0.22
Log Po/w (MLOGP) :	-1.05
Log Po/w (SILICOS-IT) :	-0.26
Consensus Log Po/w :	-0.03

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.18
Solubility :	9.3 mg/ml ; 0.0659 mol/l
Class :	Very soluble
Log S (Ali) :	-1.4
Solubility :	5.58 mg/ml ; 0.0395 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.82
Solubility :	21.4 mg/ml ; 0.151 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.28

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

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