CAS RN: 1220039-43-9
2-(PyriMidin-2-yl)acetaMide
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.20250305 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1220039-43-9
- Purity/Analytical Methods: >99.0%
1220039-43-9 / 2-pyrimidin-2-ylacetamide
Basic Information
CAS
1220039-43-9
Multi CAS
No
Molecular Formula
C6H7N3O
Molecular Weight
137.140000
Exact Mass
137.058912
SMILES
C1=CN=C(N=C1)CC(=O)N
InChI
InChI=1S/C6H7N3O/c7-5(10)4-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10)
InChIKey
QKYYCHBWOLRIJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.93
TPSA
68.87
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.44
XLogP3
-0.9
Consensus LogP
-0.61
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
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)
-3.91
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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