CAS 611-55-2|2-AMINO-4-HYDROXY-6,7-DIMETHYL PTERIDINE|2-Amino-6,7-dimethyl-4-hydroxypteridine|2-AMINO-6,7-DIMETHYL-4-HYDROXYPTERIDINE|2-Amino-6,7-dimethyl-4-pteridinol|2-amino-6,7-dimethylpteridin-4...

General Information

Structure

Molecular Formula

C₈H₉N₅O

Molecular Mass

191.18996

Exact Mass

191.08070993

Charge

InChI

InChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)

InChIKey

ZKWZUPPXTCQQJL-UHFFFAOYSA-N

Canonic Smiles

Nc1nc(O)c2c(n1)nc(c(n2)C)C

Isomeric Smiles

Cc1nc2nc(N)nc(O)c2nc1C

Calculated Properties

JChem

LogD (pH = 7.4)

0.07

LogD (pH = 5.5)

0.10

Log P

0.10

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

8.45

Polar Surface Area

97.81

Polarizability

18.93

Molar Refractivity

51.81

LOG S

-1.31

Data Source

Names and Identifiers

Synonyms

2-AMINO-4-HYDROXY-6,7-DIMETHYL PTERIDINE2-Amino-6,7-dimethyl-4-hydroxypteridine2-AMINO-6,7-DIMETHYL-4-HYDROXYPTERIDINE2-Amino-6,7-dimethyl-4-pteridinol2-Amino-6,7-dimethyl-4-hydroxypteridine2-氨基-6,7-二甲基-4-羟基蝶啶2-氨基-6,7-二甲基-4-羟基他啶水合物2-amino-6,7-dimethyl-4-hydroxypteridine

IUPAC name

2-amino-6,7-dimethylpteridin-4-ol

IUPAC Traditional name

2-amino-6,7-dimethylpteridin-4-ol

Names and Identifiers

Registration numbers

CAS Number

611-55-2

EC Number

210-270-3

PubChem SID

16209025524890951223443613