CAS RN: 1378847-85-8
2-Iodo-pyrimidin-5-ylamine
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.20260524 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1378847-85-8
- Purity/Analytical Methods: >99.0%
1378847-85-8 / 2-iodopyrimidin-5-amine
Basic Information
CAS
1378847-85-8
Multi CAS
No
Molecular Formula
C4H4IN3
Molecular Weight
221.000000
Exact Mass
220.944990
SMILES
C1=C(C=NC(=N1)I)N
InChI
InChI=1S/C4H4IN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
InChIKey
PKJDAOPRLFQCBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.16
TPSA
51.8
LogP / Solubility
WLOGP
0.66
MLOGP
0.59
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.6
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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![CAS 1378861-55-2 3-BroMo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1378861-55-2.gif)
