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Also known as: Dtxsid50653343, Tert-butyl 2,4-dichloro-5,8-dihydropyrido(3,4-d)pyrimidine-7(6h)-carboxylate, Refchem:892175, Dtxcid10604093, 988-220-1, 916420-27-4

Molecular Formula

C₁₂H₁₅Cl₂N₃O₂

Molecular Weight

304.17 g/mol

InChI Key

SAEOMPAQDWZLHC-UHFFFAOYSA-N

1 2D Structure

916420-27-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

2.1.2 InChI

InChI=1S/C12H15Cl2N3O2/c1-12(2,3)19-11(18)17-5-4-7-8(6-17)15-10(14)16-9(7)13/h4-6H2,1-3H3

2.1.3 InChI Key

SAEOMPAQDWZLHC-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Dtxsid50653343

2. Tert-butyl 2,4-dichloro-5,8-dihydropyrido(3,4-d)pyrimidine-7(6h)-carboxylate

3. Refchem:892175

4. Dtxcid10604093

5. 988-220-1

6. 916420-27-4

7. Tert-butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate

8. Mfcd09025732

9. Tert-butyl 2,4-dichloro-6,8-dihydro-5h-pyrido[3,4-d]pyrimidine-7-carboxylate

10. Tert-butyl 2,4-dichloro-5h,6h,7h,8h-pyrido[3,4-d]pyrimidine-7-carboxylate

11. 7-boc-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

12. Schembl1832511

13. Saeompaqdwzlhc-uhfffaoysa-n

14. Cs-d0028

15. Sc1061

16. Akos015841220

17. Pb16080

18. Tert-butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

19. Ac-27689

20. Ds-10854

21. Sy006156

22. En300-7365897

23. F076941

24. 7-boc-2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine

25. Z1505713434

26. Tert-butyl 4,2-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate

27. Tert-butyl2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate

28. Tert-butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate7-boc-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2.3 Create Date

2009-05-29

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅Cl₂N₃O₂
Molecular Weight	304.17 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	55.3
Heavy Atom Count	19
Formal Charge	0
Complexity	348
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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