CAS RN: 73-68-7
5-Pyrimidinecarboxaldehyde, 4-amino-2-methyl- (6CI,7CI,8CI,9CI)
- Product code: SSC-182451
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 | Shenzhen | Inquiry |
73-68-7 / 4-amino-2-methylpyrimidine-5-carbaldehyde
Basic Information
CAS
73-68-7
Multi CAS
No
Molecular Formula
C6H7N3O
Molecular Weight
137.140000
Exact Mass
137.058912
InChI
InChI=1S/C6H7N3O/c1-4-8-2-5(3-10)6(7)9-4/h2-3H,1H3,(H2,7,8,9)
InChIKey
NOHYIPRJOCCNMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.57
TPSA
68.87
LogP / Solubility
WLOGP
0.18
MLOGP
0.15
XLogP3
0.3
Consensus LogP
0.21
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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