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2D Structure
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

2D Structure

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