CAS RN: 1006599-54-7
2-aMino-5-(2-(Methylthio)ethoxy)pyriMidine
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.20250705 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1006599-54-7
- Purity/Analytical Methods: >99.0%
1006599-54-7 / 5-(2-methylsulfanylethoxy)pyrimidin-2-amine
5-(2-(Methylthio)ethoxy)pyrimidin-2-amine | 2-AMINO-5-(2-(METHYLTHIO)ETHOXY)PYRIMIDINE | 2-Pyrimidinamine, 5-[2-(methylthio)ethoxy]-
Basic Information
CAS
1006599-54-7
Multi CAS
No
Molecular Formula
C7H11N3OS
Molecular Weight
185.250000
Exact Mass
185.062283
SMILES
CSCCOC1=CN=C(N=C1)N
InChI
InChI=1S/C7H11N3OS/c1-12-3-2-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKey
PZXBGPBKYUSLBG-UHFFFAOYSA-N
Synonyms
5-(2-(Methylthio)ethoxy)pyrimidin-2-amine
2-AMINO-5-(2-(METHYLTHIO)ETHOXY)PYRIMIDINE
2-Pyrimidinamine, 5-[2-(methylthio)ethoxy]-
5-(2-methylsulfanylethoxy)pyrimidin-2-amine
MFCD20694880
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.32
TPSA
61.03
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
0.5
Consensus LogP
0.67
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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