CAS RN: 571149-78-5
6-AMINO-1-BUTYL-5-(2-METHOXY-BENZYLAMINO)-1H-PYRIMIDINE-2,4-DIONE
- Product code: SSC-165220
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
571149-78-5 / 6-amino-1-butyl-5-[(2-methoxyphenyl)methylamino]pyrimidine-2,4-dione
Basic Information
CAS
571149-78-5
Multi CAS
Yes
Molecular Formula
C16H22N4O3
Molecular Weight
318.370000
Exact Mass
318.169191
InChI
InChI=1S/C16H22N4O3/c1-3-4-9-20-14(17)13(15(21)19-16(20)22)18-10-11-7-5-6-8-12(11)23-2/h5-8,18H,3-4,9-10,17H2,1-2H3,(H,19,21,22)
InChIKey
FLSNRHFZAAEVJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
90.96
TPSA
102.14
LogP / Solubility
WLOGP
1.54
MLOGP
1.37
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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