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2D Structure
Also known as: 887581-47-7, Refchem:541611, 873-464-2, 6-chloro-3-isopropylpyrimidine-2,4(1h,3h)-dione, Mfcd03001443, 6-chloro-3-propan-2-yl-1h-pyrimidine-2,4-dione
Molecular Formula
C7H9ClN2O2
Molecular Weight
188.61  g/mol
InChI Key
KGNSZFNQYGWUGX-UHFFFAOYSA-N
FDA UNII
89L3FBL6VH

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C7H9ClN2O2/c1-4(2)10-6(11)3-5(8)9-7(10)12/h3-4H,1-2H3,(H,9,12)
2.1.3 InChI Key
KGNSZFNQYGWUGX-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
89L3FBL6VH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 887581-47-7

2. Refchem:541611

3. 873-464-2

4. 6-chloro-3-isopropylpyrimidine-2,4(1h,3h)-dione

5. Mfcd03001443

6. 6-chloro-3-propan-2-yl-1h-pyrimidine-2,4-dione

7. 2,4(1h,3h)-pyrimidinedione, 6-chloro-3-(1-methylethyl)-

8. 3-isopropyl-6-chlorouracil

9. 6-chloro-3-isopropyl-1h-pyrimidine-2,4-dione

10. 89l3fbl6vh

11. Schembl10855053

12. Kgnszfnqygwugx-uhfffaoysa-n

13. Albb-036609

14. Mavacamten Intermediates Impurity 1

15. Mkb58147

16. Sbb090860

17. Akos006277779

18. Pb43733

19. Ps-15571

20. Sy129678

21. Db-359428

22. Cs-0460199

23. E73494

24. En300-133825

25. An-970/40920602

26. 6-chloro-3-isopropyl-2,4(1h,3h)-pyrimidinedione

27. 6-chloro-3-(1-methylethyl)-2,4(1h,3h)-pyrimidinedione

28. 6-chloro-3-(methylethyl)-1,3-dihydropyrimidine-2,4-dione

2.4 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 188.61 g/mol
Molecular Formula C7H9ClN2O2
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area49.4
Heavy Atom Count12
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1