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CAS RN: 39008-28-1
5,6-DIAMINO-3-METHYL-2-METHYLTHIO-4(3H)PYRIMIDINONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250305 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS39008-28-1
- Purity/Analytical Methods: >99.0%
39008-28-1 / 5,6-diamino-3-methyl-2-methylsulfanylpyrimidin-4-one
Basic Information
CAS
39008-28-1
Multi CAS
No
Molecular Formula
C6H10N4OS
Molecular Weight
186.240000
Exact Mass
186.057532
InChI
InChI=1S/C6H10N4OS/c1-10-5(11)3(7)4(8)9-6(10)12-2/h7-8H2,1-2H3
InChIKey
DKIXTKJRMXEYST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
50.08
TPSA
86.93
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.3
XLogP3
-0.5
Consensus LogP
-0.38
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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