CAS RN: 21573-09-1
2-aMino-4-chloro-6-cyclopropylpyriMidine
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.20250506 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21573-09-1
- Purity/Analytical Methods: >99.0%
21573-09-1 / 4-chloro-6-cyclopropylpyrimidin-2-amine
Basic Information
CAS
21573-09-1
Multi CAS
No
Molecular Formula
C7H8ClN3
Molecular Weight
169.610000
Exact Mass
169.040675
SMILES
C1CC1C2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C7H8ClN3/c8-6-3-5(4-1-2-4)10-7(9)11-6/h3-4H,1-2H2,(H2,9,10,11)
InChIKey
KXBBHTZHROZBCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.43
TPSA
51.8
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
