CAS RN: 1643543-57-0
2,4-Dichloro-5-(methyl-d3)-pyrimidine
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: LIND889956
1643543-57-0 / 2,4-dichloro-5-(trideuteriomethyl)pyrimidine
Basic Information
CAS
1643543-57-0
Multi CAS
No
Molecular Formula
C5H4Cl2N2
Molecular Weight
166.020000
Exact Mass
164.993984
SMILES
[2H]C([2H])([2H])C1=CN=C(N=C1Cl)Cl
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3/i1D3
InChIKey
DQXNTSXKIUZJJS-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
36.79
TPSA
25.78
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.5
Consensus LogP
2.14
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
