CAS RN: 81009-13-4
2-Amino-4-(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.20260604 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA889793
81009-13-4 / 4-(trideuteriomethyl)pyrimidin-2-amine
Basic Information
CAS
81009-13-4
Multi CAS
No
Molecular Formula
C5H7N3
Molecular Weight
112.150000
Exact Mass
112.082827
InChI
InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)/i1D3
InChIKey
GHCFWKFREBNSPC-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.18
TPSA
51.8
LogP / Solubility
WLOGP
0.37
MLOGP
0.31
XLogP3
0.3
Consensus LogP
0.33
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-3.12
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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