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2D Structure
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

1 2D Structure

2D Structure

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