CAS RN: 1643538-02-6
2-Chloro-4-(methyl-d3)-5-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.20250825 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC889949
1643538-02-6 / 2-chloro-5-cyclopropyl-4-(trideuteriomethyl)pyrimidine
Basic Information
CAS
1643538-02-6
Multi CAS
No
Molecular Formula
C8H9ClN2
Molecular Weight
171.640000
Exact Mass
171.064256
SMILES
[2H]C([2H])([2H])C1=NC(=NC=C1C2CC2)Cl
InChI
InChI=1S/C8H9ClN2/c1-5-7(6-2-3-6)4-10-8(9)11-5/h4,6H,2-3H2,1H3/i1D3
InChIKey
KPKALVDVIKGQTC-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.75
TPSA
25.78
LogP / Solubility
WLOGP
2.32
MLOGP
2.03
XLogP3
2.5
Consensus LogP
2.28
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.1
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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