CAS 34654-81-4

Chemistry, 3 End Use API, 8 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

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

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 Formula	C₉H₁₄ClN₃O₂
Molecular Weight	231.68 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	231.0774544 g/mol
Monoisotopic Mass	231.0774544 g/mol
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	304
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