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CAS 1246820-43-8 6-Amino-3-methyluracil-d3 molecular structure lightbox
CAS RN: 1246820-43-8

6-Amino-3-methyluracil-d3

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1246820-43-8
  • Purity/Analytical Methods: >99.0%
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1246820-43-8 / 6-amino-3-(trideuteriomethyl)-1H-pyrimidine-2,4-dione

Standard CAS: 1246820-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246820-43-8
Multi CAS
No
Molecular Formula
C5H7N3O2
Molecular Weight
144.150000
Exact Mass
144.072657
SMILES
[2H]C([2H])([2H])N1C(=O)C=C(NC1=O)N
InChI
InChI=1S/C5H7N3O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,6H2,1H3,(H,7,10)/i1D3
InChIKey
JGAVPFNFAUWIJY-FIBGUPNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.72
TPSA
80.88

LogP / Solubility

WLOGP
-1.34
MLOGP
-1.19
XLogP3
-1.3
Consensus LogP
-1.28
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
0.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.54
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54

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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