CAS 76362-29-3

1 2D Structure

CAS 76362-29-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine

2.1.2 InChI

InChI=1S/C14H21N5O2/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18)

2.1.3 InChI Key

HVTJQTPDNHTWGI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(CCCN)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC

2.2 Other Identifiers

2.2.1 UNII

X166NKW50I

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 76362-29-3

2. N2-(3-aminopropyl)-6,7-dimethoxy-n2-methylquinazoline-2,4-diamine

3. 2,4-quinazolinediamine, N2-(3-aminopropyl)-6,7-dimethoxy-n2-methyl-

4. X166nkw50i

5. N-(4-amino-6,7-dimethoxyquinazolin-2-yl)-n-methylpropane-1,3-diamine

6. 3-(n-(4-amino-6,7-dimethoxyquinazolin-2-yl)-n-methylamino)-1-propanamine

7. Unii-x166nkw50i

8. Alfuzosin Hydrochloride Impurity D

9. Alfuzosin Impurity D

10. Alfuzosin Hydrochloride Impurity D [ep]

11. Schembl3921653

12. Zinc22048332

13. N1-methyl-n1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,3-propanediamine

14. Deacylated Alfuzosin [usp Impurity]

15. Ft-0661744

16. Q27293297

17. Alfuzosin Hydrochloride Impurity D [ep Impurity]

18. 2-n-(3-aminopropyl)-6,7-dimethoxy-2-n-methylquinazoline-2,4-diamine

19. N1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-n1-methylpropane-1,3-diamine

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₁N₅O₂
Molecular Weight	291.35 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	291.16952493 g/mol
Monoisotopic Mass	291.16952493 g/mol
Topological Polar Surface Area	99.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	320
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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