CAS RN: 185040-34-0
(4-(ethylaMino)-2-(Methylthio)pyriMidin-5-yl)Methanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250908 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS185040-34-0
- Purity/Analytical Methods: >99.0%
185040-34-0 / [4-(ethylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
Basic Information
CAS
185040-34-0
Multi CAS
No
Molecular Formula
C8H13N3OS
Molecular Weight
199.280000
Exact Mass
199.077933
SMILES
CCNC1=NC(=NC=C1CO)SC
InChI
InChI=1S/C8H13N3OS/c1-3-9-7-6(5-12)4-10-8(11-7)13-2/h4,12H,3,5H2,1-2H3,(H,9,10,11)
InChIKey
QCDOUHFYODXAQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
53.9
TPSA
58.04
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
1.4
Consensus LogP
1.17
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
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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