CAS RN: 24860-40-0
2,4-Diamino-6-isopropoxy-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250504 | 100mg | In stock | Shanghai | Inquiry |
- Product code: ICTD2225
24860-40-0 / 6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
Basic Information
CAS
24860-40-0
Multi CAS
No
Molecular Formula
C6H11N5O
Molecular Weight
169.190000
Exact Mass
169.096360
SMILES
CC(C)OC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C6H11N5O/c1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H3,(H4,7,8,9,10,11)
InChIKey
ATCQNYLEZRQALQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
44.42
TPSA
99.94
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
0.4
Consensus LogP
0.02
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.88
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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