CAS 887581-47-7

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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

CAS 887581-47-7

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 Formula	C₇H₉ClN₂O₂
Molecular Weight	188.61 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	49.4
Heavy Atom Count	12
Formal Charge	0
Complexity	260
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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