2-Amino-4-methoxypyrimidine

Introduction

CAS No. :	155-90-8	MDL No. :	MFCD00619233
Formula :	C5H7N3O	Boiling Point :	No data available
Linear Structure Formula :	NH2(C4H2N2)OCH3	InChI Key :	YNXLSFXQTQKQEF-UHFFFAOYSA-N
M.W :	125.13	Pubchem ID :	67428
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.2
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	32.93
TPSA :	61.03 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) :	-6.74 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.34
Log Po/w (XLOGP3) :	0.46
Log Po/w (WLOGP) :	0.08
Log Po/w (MLOGP) :	-0.49
Log Po/w (SILICOS-IT) :	0.2
Consensus Log Po/w :	0.32

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.33
Solubility :	5.81 mg/ml ; 0.0465 mol/l
Class :	Very soluble
Log S (Ali) :	-1.31
Solubility :	6.13 mg/ml ; 0.049 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.38
Solubility :	5.24 mg/ml ; 0.0419 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.86

Signal Word:	Warning	Class:
Precautionary Statements:	P261	UN#:
Hazard Statements:	H302-H315-H335	Packing Group:
GHS Pictogram:

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