CAS RN: 565165-41-5
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-butyl-5-(methylamino)- (9CI)
- Product code: SSC-164478
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
565165-41-5 / 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione
Basic Information
CAS
565165-41-5
Multi CAS
Yes
Molecular Formula
C9H16N4O2
Molecular Weight
212.250000
Exact Mass
212.127326
InChI
InChI=1S/C9H16N4O2/c1-3-4-5-13-7(10)6(11-2)8(14)12-9(13)15/h11H,3-5,10H2,1-2H3,(H,12,14,15)
InChIKey
HDWDJIRYLSHJHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
60.19
TPSA
92.91
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.03
XLogP3
0.2
Consensus LogP
0.04
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-4.04
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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