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CAS 1185317-73-0 2,4-Dichloro-6-(methyl-d3)-pyrimidine molecular structure lightbox
CAS RN: 1185317-73-0

2,4-Dichloro-6-(methyl-d3)-pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251214 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: LIND889840
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1185317-73-0 / 2,4-dichloro-6-(trideuteriomethyl)pyrimidine

2,4-Dichloro-6-(methyl-d3)-pyrimidine | AKOS015944274 | 2,4-dichloro-6-(methyl-d3)pyrimidine

Standard CAS: 1185317-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185317-73-0
Multi CAS
No
Molecular Formula
C5H4Cl2N2
Molecular Weight
166.020000
Exact Mass
164.993984
SMILES
[2H]C([2H])([2H])C1=CC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3/i1D3
InChIKey
BTLKROSJMNFSQZ-FIBGUPNXSA-N
Synonyms
2,4-Dichloro-6-(methyl-d3)-pyrimidine AKOS015944274 2,4-dichloro-6-(methyl-d3)pyrimidine CS-17783 F92479

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

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