CAS RN: 1588441-38-6
N-(PyriMidin-5-ylMethyl)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.20250105 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1588441-38-6
- Purity/Analytical Methods: >99.0%
1588441-38-6 / N-(pyrimidin-5-ylmethyl)acetamide
Basic Information
CAS
1588441-38-6
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
SMILES
CC(=O)NCC1=CN=CN=C1
InChI
InChI=1S/C7H9N3O/c1-6(11)10-4-7-2-8-5-9-3-7/h2-3,5H,4H2,1H3,(H,10,11)
InChIKey
YCOYGPOQCNGNNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.55
TPSA
54.88
LogP / Solubility
WLOGP
0.11
MLOGP
0.09
XLogP3
-0.7
Consensus LogP
-0.17
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
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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