CAS 60547-97-9|6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine|4-Amino-6,7-dimethoxy-2-piperazin-1-ylquinazoline|6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine|2-(1-Piperazinyl)-4-amino-6,7-d...

General Information

Structure

Molecular Formula

C₁₄H₁₉N₅O₂

Molecular Mass

289.33296

Exact Mass

289.15387487

Charge

InChI

InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)

InChIKey

APKHJGDGWQDBGM-UHFFFAOYSA-N

Canonic Smiles

COc1cc2nc(nc(c2cc1OC)N)N1CCNCC1

Isomeric Smiles

O(c1cc2c(cc1OC)nc(nc2N)N1CCNCC1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.090294

LogD (pH = 7.4)

-0.21103351

Log P

1.1261531

Molar Refractivity

81.8708

Polarizability

31.512623

Polar Surface Area

85.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine

Synonyms

4-Amino-6,7-dimethoxy-2-piperazin-1-ylquinazoline6,7-Dimethoxy-2-(1-piperazinyl)-4-quinazolinamine4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline2-Piperazinyl-4-amino-6,7-dimethoxyquinazoline2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline4-Amino-2-(1-piperazinyl)-6,7-dimethoxyquinazoline

IUPAC Traditional name

6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number