6-Amino-5-(2,2-diethoxyethyl)pyrimidin-4-ol

Introduction

CAS No. :	7400-06-8	MDL No. :	MFCD02094191
Formula :	C10H17N3O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DLABUHZHXFNKMQ-UHFFFAOYSA-N
M.W :	227.26	Pubchem ID :	135408688
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.6
Num. rotatable bonds :	6
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	59.63
TPSA :	90.49 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.19 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.0
Log Po/w (XLOGP3) :	0.7
Log Po/w (WLOGP) :	0.71
Log Po/w (MLOGP) :	-0.04
Log Po/w (SILICOS-IT) :	0.73
Consensus Log Po/w :	0.82

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.57
Solubility :	6.1 mg/ml ; 0.0268 mol/l
Class :	Very soluble
Log S (Ali) :	-2.18
Solubility :	1.51 mg/ml ; 0.00664 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.25
Solubility :	1.29 mg/ml ; 0.00569 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.67

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
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