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CAS RN: 1643537-30-7

4,6-Dichloro-2-[2-hydroxy-1-(methylethyl-d6)]-pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250928 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: LIND889943
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1643537-30-7 / 1,1,1,3,3,3-hexadeuterio-2-(4,6-dichloropyrimidin-2-yl)propan-2-ol

Standard CAS: 1643537-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1643537-30-7
Multi CAS
No
Molecular Formula
C7H8Cl2N2O
Molecular Weight
213.090000
Exact Mass
212.039029
SMILES
[2H]C([2H])([2H])C(C1=NC(=CC(=N1)Cl)Cl)(C([2H])([2H])[2H])O
InChI
InChI=1S/C7H8Cl2N2O/c1-7(2,12)6-10-4(8)3-5(9)11-6/h3,12H,1-2H3/i1D3,2D3
InChIKey
UIQFHPATZDSNCZ-WFGJKAKNSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.3
TPSA
46.01

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.9
Consensus LogP
1.89
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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