CAS 733039-20-8

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Also known as: 733039-20-8, 5-bromo-2-chloro-n-cyclopentyl-4-pyrimidinamine, 4-pyrimidinamine, 5-bromo-2-chloro-n-cyclopentyl-, Mfcd13181206, 4-pyrimidinamine,5-bromo-2-chloro-n-cyclopentyl-, (5-bromo-2-chloro-pyrimidin-4-yl)-cyclopentyl-amine

Molecular Formula

C₉H₁₁BrClN₃

Molecular Weight

276.56 g/mol

InChI Key

DIVUXBABVYOIOT-UHFFFAOYSA-N

1 2D Structure

CAS 733039-20-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine

2.1.2 InChI

InChI=1S/C9H11BrClN3/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)

2.1.3 InChI Key

DIVUXBABVYOIOT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(C1)NC2=NC(=NC=C2Br)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 733039-20-8

2. 5-bromo-2-chloro-n-cyclopentyl-4-pyrimidinamine

3. 4-pyrimidinamine, 5-bromo-2-chloro-n-cyclopentyl-

4. Mfcd13181206

5. 4-pyrimidinamine,5-bromo-2-chloro-n-cyclopentyl-

6. (5-bromo-2-chloro-pyrimidin-4-yl)-cyclopentyl-amine

7. Schembl1976634

8. Amy1829

9. Dtxsid90658034

10. Bcp13300

11. Cs-b0327

12. Zinc84193554

13. Akos016007220

14. Sb60529

15. Ac-30131

16. Ds-17737

17. Sy061054

18. Ft-0697065

19. (5-bromo-2-chloro-pyrimidin-4-yl)cyclopentylamine

20. A866108

21. N-cyclopentyl-2-chloro-5-bromopyrimidine-4-amine

22. (5-bromo-2-chloro Pyrimidin-4-yl)-cyclopentyl-amine

23. 5-bromo-2-chloro-n-cyclopentylpyrimidin-4-amine, Aldrichcpr

2.3 Create Date

2009-11-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁BrClN₃
Molecular Weight	276.56 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	274.98249 g/mol
Monoisotopic Mass	274.98249 g/mol
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187
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