Structure

5,6-Diamino-3-methyl-2-methylthio-4(3H)pyrimidinone

CAS
39008-28-1
Catalog Number
ACM39008281
Category
Other Products
Molecular Weight
186.23
Molecular Formula
C6H10N4OS

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Specification

Synonyms
39008-28-1, AB-323/25048418, ZINC00330501, SureCN8720564, AC1L49C2, CTK1C4794, MolPort-003-800-627, SBB090471, AKOS006277716, AG-A-79050, AG-C-04262, FT-0666382, 5,6-diamino-3-methyl-2-methylsulfanylpyrimidin-4-one, 5,6-Diamino-3-methyl-2-methylthio-4(3H)pyrimidinone, 5,6-diamino-3-methyl-2-methylsulfanyl-pyrimidin-4-one, 5,6-diamino-3-methyl-2-methylthio-3-hydropyrimidin-4-one, 5,6-diamino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
IUPAC Name
5,6-diamino-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILES
CN1C(=O)C(=C(N=C1SC)N)N
InChI Key
DKIXTKJRMXEYST-UHFFFAOYSA-N
Boiling Point
281.3ºC at 760 mmHg
Flash Point
123.9ºC
Density
1.55g/cm³
Appearance
Tan Solid
Exact Mass
186.05800
H-Bond Acceptor
5
H-Bond Donor
2

Upstream Synthesis Route 1

  • 42026-60-8
  • 39008-28-1

Reference: [1] Patent: US5525711, 1996, A,

Upstream Synthesis Route 2

  • 42026-60-8
  • 39008-28-1

Reference: [1] Journal of Heterocyclic Chemistry, 1992, vol. 29, # 6, p. 1449 - 1455

Downstream Synthesis Route 1

  • 2757-85-9
  • 39008-28-1
  • 99056-87-8

Reference: [1]Chemische Berichte,1957,vol. 90,p. 2631,2633,2635

Downstream Synthesis Route 2

  • 39008-28-1
  • 49653-17-0
  • 99587-06-1

Reference: [1]Chemische Berichte,1958,vol. 91,p. 1671,1678

Downstream Synthesis Route 3

  • 39008-28-1
  • 89181-83-9

Reference: [1]Chemische Berichte,1959,vol. 92,p. 3190,3195

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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