CAS 73978-41-3

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Also known as: 73978-41-3, 2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride, (2,4-diaminopteridin-6-yl)methanol;hydrochloride, 6-pteridinemethanol, 2,4-diamino-, monohydrochloride, Mfcd00191246, (2,4-diaminopteridin-6-yl)methanol hcl

Molecular Formula

C₇H₉ClN₆O

Molecular Weight

228.64 g/mol

InChI Key

XZHMPUJCSYVIQL-UHFFFAOYSA-N

1 2D Structure

CAS 73978-41-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2,4-diaminopteridin-6-yl)methanol;hydrochloride

2.1.2 InChI

InChI=1S/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H

2.1.3 InChI Key

XZHMPUJCSYVIQL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=C2C(=NC(=NC2=N1)N)N)CO.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 73978-41-3

2. 2,4-diamino-6-(hydroxymethyl)pteridine Hydrochloride

3. (2,4-diaminopteridin-6-yl)methanol;hydrochloride

4. 6-pteridinemethanol, 2,4-diamino-, Monohydrochloride

5. Mfcd00191246

6. (2,4-diaminopteridin-6-yl)methanol Hcl

7. 2,4-diamino-6-hydroxymethylpteridine Hydrochloride

8. (2,4-diaminopteridin-6-yl)methanolhydrochloride

9. 2,4-diamino-6-(hydroxymethyl)-pteridine Hydrochloride

10. Schembl3101407

11. Bcp09302

12. Geo-00919

13. Akos005254571

14. Cs-w008143

15. Ps-7744

16. Sy063959

17. 2,4-diamino-6-(hydroxymethyl)pteridine Hcl

18. Ft-0609967

19. (2,4-diamino-6-pteridinyl)methanol Hydrochloride

20. W-200498

21. (2,4-diaminopteridin-6-yl)methanolhydrochloridehydrate

22. 2,4-diaminopyrimido[4,5-b]pyrazine-6-methanol Monohydrochloride

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₉ClN₆O
Molecular Weight	228.64 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	228.0526366 g/mol
Monoisotopic Mass	228.0526366 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	203
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	2