CAS RN: 28648-86-4
4-Pyrimidinecarboxamide (6CI,7CI,8CI,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.20250206 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS28648-86-4
- Purity/Analytical Methods: >99.0%
28648-86-4 / pyrimidine-4-carboxamide
Basic Information
CAS
28648-86-4
Multi CAS
No
Molecular Formula
C5H5N3O
Molecular Weight
123.110000
Exact Mass
123.043262
InChI
InChI=1S/C5H5N3O/c6-5(9)4-1-2-7-3-8-4/h1-3H,(H2,6,9)
InChIKey
HKSQZEGSMBFHGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.55
TPSA
68.87
LogP / Solubility
WLOGP
-0.42
MLOGP
-0.38
XLogP3
-0.7
Consensus LogP
-0.5
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.77
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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