CAS RN: 308847-79-2
2(1H)-Pyrimidinone, 4-amino-5-ethenyl- (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.20250715 | 100mg / 250mg / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS308847-79-2
- Purity/Analytical Methods: >99.0%
308847-79-2 / 6-amino-5-ethenyl-1H-pyrimidin-2-one
Basic Information
CAS
308847-79-2
Multi CAS
Yes
Molecular Formula
C6H7N3O
Molecular Weight
137.140000
Exact Mass
137.058912
InChI
InChI=1S/C6H7N3O/c1-2-4-3-8-6(10)9-5(4)7/h2-3H,1H2,(H3,7,8,9,10)
InChIKey
WPIODDDSOONWLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.36
TPSA
71.77
LogP / Solubility
MLOGP
-0.01
XLogP3
-0.4
Consensus LogP
-0.14
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-3.56
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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