2-Methyl-5,6,7,8-tetrahydroquinazolin-4-ol

Introduction

CAS No. :	19178-21-3	MDL No. :	MFCD16872923
Formula :	C9H12N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	POZNQGBUFZFKPQ-UHFFFAOYSA-N
M.W :	164.20	Pubchem ID :	135431271
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.56
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	46.45
TPSA :	46.01 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.02 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.0
Log Po/w (XLOGP3) :	1.81
Log Po/w (WLOGP) :	1.37
Log Po/w (MLOGP) :	1.07
Log Po/w (SILICOS-IT) :	2.26
Consensus Log Po/w :	1.7

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.37
Solubility :	0.703 mg/ml ; 0.00428 mol/l
Class :	Soluble
Log S (Ali) :	-2.4
Solubility :	0.66 mg/ml ; 0.00402 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.56
Solubility :	0.448 mg/ml ; 0.00273 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.38

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

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine