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CAS 125092-42-4
Also known as: 125092-42-4, 6-amino-1-methyl-5-(propylamino)uracil, 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione, 6-amino-5-propylamino-1-methyluracil, 2,4(1h,3h)-pyrimidinedione,6-amino-1-methyl-5-(propylamino)-, Dtxsid70559939
Molecular Formula
C8H14N4O2
Molecular Weight
198.22  g/mol
InChI Key
PXXPWRGFQVGQAZ-UHFFFAOYSA-N

1 2D Structure

CAS 125092-42-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C8H14N4O2/c1-3-4-10-5-6(9)12(2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14)
2.1.3 InChI Key
PXXPWRGFQVGQAZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCNC1=C(N(C(=O)NC1=O)C)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 125092-42-4

2. 6-amino-1-methyl-5-(propylamino)uracil

3. 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione

4. 6-amino-5-propylamino-1-methyluracil

5. 2,4(1h,3h)-pyrimidinedione,6-amino-1-methyl-5-(propylamino)-

6. Dtxsid70559939

7. Mfcd01074825

8. Zinc37486424

9. Akos008962125

10. Sb55600

11. As-71163

12. Cs-0256311

13. Ft-0620928

14. T70174

15. 6-amino-1-methyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 198.22 g/mol
Molecular Formula C8H14N4O2
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass198.11167570 g/mol
Monoisotopic Mass198.11167570 g/mol
Topological Polar Surface Area87.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufactur...
The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufacture of high-quality Active Pharmaceutical Ingredients (APIs), Intermediates, and Speciality Chemicals. Since our inception in 1975, we have grown to become world leaders in the area of xanthine chemistry. They specialize in manufacturing APIs such as Linagliptin, Pentoxifylline, Theobromine, Doxofylline, Caffeine, Pamabrom, and others.
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The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufactur...
The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufacture of high-quality Active Pharmaceutical Ingredients (APIs), Intermediates, and Speciality Chemicals. Since our inception in 1975, we have grown to become world leaders in the area of xanthine chemistry. They specialize in manufacturing APIs such as Linagliptin, Pentoxifylline, Theobromine, Doxofylline, Caffeine, Pamabrom, and others.
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