CAS RN: 465531-97-9
5-Pyrimidinecarbonitrile, 2,4,6-triamino-
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.20250809 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS465531-97-9
- Purity/Analytical Methods: >99.0%
465531-97-9 / 2,4,6-triaminopyrimidine-5-carbonitrile
Basic Information
CAS
465531-97-9
Multi CAS
No
Molecular Formula
C5H6N6
Molecular Weight
150.140000
Exact Mass
150.065394
InChI
InChI=1S/C5H6N6/c6-1-2-3(7)10-5(9)11-4(2)8/h(H6,7,8,9,10,11)
InChIKey
OXBKPLFFXBNIHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
39.98
TPSA
127.63
LogP / Solubility
WLOGP
-0.91
MLOGP
-0.8
XLogP3
-0.6
Consensus LogP
-0.77
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.12
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.28
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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