CAS RN: 1221974-50-0
6-(1H-imidazol-1-yl)pyrimidin-4-amine
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.20251009 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1221974-50-0
- Purity/Analytical Methods: >99.0%
1221974-50-0 / 6-imidazol-1-ylpyrimidin-4-amine
Basic Information
CAS
1221974-50-0
Multi CAS
No
Molecular Formula
C7H7N5
Molecular Weight
161.160000
Exact Mass
161.070145
SMILES
C1=CN(C=N1)C2=NC=NC(=C2)N
InChI
InChI=1S/C7H7N5/c8-6-3-7(11-4-10-6)12-2-1-9-5-12/h1-5H,(H2,8,10,11)
InChIKey
HUPCLYFAVVDMRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.57
TPSA
69.62
LogP / Solubility
WLOGP
0.24
MLOGP
0.21
XLogP3
-0.1
Consensus LogP
0.12
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-3.53
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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