CAS RN: 2038-32-6
4-Pyrimidinamine, 6-(methylthio)- (9CI)
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.20260624 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2038-32-6
- Purity/Analytical Methods: >99.0%
2038-32-6 / 6-methylsulfanylpyrimidin-4-amine
Basic Information
CAS
2038-32-6
Multi CAS
No
Molecular Formula
C5H7N3S
Molecular Weight
141.200000
Exact Mass
141.036068
SMILES
CSC1=NC=NC(=C1)N
InChI
InChI=1S/C5H7N3S/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)
InChIKey
ZTPARTFFNQLVSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.23
TPSA
51.8
LogP / Solubility
WLOGP
0.78
MLOGP
0.68
XLogP3
0.7
Consensus LogP
0.72
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-3.03
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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