CAS RN: 94615-68-6
2-Pyrimidinamine, 5-(1,1-dimethylethyl)- (9CI)
- Product code: SSC-209751
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
94615-68-6 / 5-tert-butylpyrimidin-2-amine
Basic Information
CAS
94615-68-6
Multi CAS
Yes
Molecular Formula
C8H13N3
Molecular Weight
151.210000
Exact Mass
151.110947
InChI
InChI=1S/C8H13N3/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5H,1-3H3,(H2,9,10,11)
InChIKey
ATDUQDKYHUGGSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.14
TPSA
51.8
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
1.5
Consensus LogP
1.35
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.68
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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