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Also known as: 34654-81-4, 6-((3-chloropropyl)amino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione, 6-(3-chloropropylamino)-1,3-dimethyluracil, 6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione, 6-(3-chloropropyl)amino-1,3-dimethyl-2,4(1h,3h)pyrimidinedione, 6-((3-chloropropyl)amino)-1,3-dimethyluracil
Molecular Formula
C9H14ClN3O2
Molecular Weight
231.68  g/mol
InChI Key
RPYBDDBZRQGARJ-UHFFFAOYSA-N

CAS 34654-81-4
1 2D Structure

CAS 34654-81-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C9H14ClN3O2/c1-12-7(11-5-3-4-10)6-8(14)13(2)9(12)15/h6,11H,3-5H2,1-2H3
2.1.3 InChI Key
RPYBDDBZRQGARJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C(=CC(=O)N(C1=O)C)NCCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 34654-81-4

2. 6-((3-chloropropyl)amino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione

3. 6-(3-chloropropylamino)-1,3-dimethyluracil

4. 6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione

5. 6-(3-chloropropyl)amino-1,3-dimethyl-2,4(1h,3h)pyrimidinedione

6. 6-((3-chloropropyl)amino)-1,3-dimethyluracil

7. Mfcd00453355

8. 6-(3-chloropropylamino)-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione

9. 2,4(1h,3h)-pyrimidinedione, 6-[(3-chloropropyl)amino]-1,3-dimethyl-

10. Einecs 252-129-9

11. 6-[(3-chloropropyl)amino]-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione

12. Schembl7793927

13. Dtxsid20188213

14. Amy15304

15. Zinc21992329

16. Akos015850609

17. Sb60526

18. As-12588

19. Sy024580

20. Cs-0158719

21. Ft-0664937

22. 6-(3-chloropropylamino)-1,3-dimethyl Uracil

23. F15024

24. 654c814

25. A822332

26. 6-(3-chloropropylamino)-1,3-dimethyl-pyrimidine-2,4-dione;6-((3-chloropropyl)amino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 231.68 g/mol
Molecular Formula C9H14ClN3O2
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass231.0774544 g/mol
Monoisotopic Mass231.0774544 g/mol
Topological Polar Surface Area52.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity304
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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