CAS RN: 156817-94-6
5-Pyrimidinamine, 4-ethyl- (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.20251027 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS156817-94-6
- Purity/Analytical Methods: >99.0%
156817-94-6 / 4-ethylpyrimidin-5-amine
Basic Information
CAS
156817-94-6
Multi CAS
No
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
SMILES
CCC1=NC=NC=C1N
InChI
InChI=1S/C6H9N3/c1-2-6-5(7)3-8-4-9-6/h3-4H,2,7H2,1H3
InChIKey
AWGWWGMPWQUJQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.82
TPSA
51.8
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.4
Consensus LogP
0.52
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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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