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 | Shanghai | Inquiry |
1118786-90-5 / (4,6-dimethoxypyrimidin-5-yl)methanamine
4,6-Dimethoxypyrimidin-5-methylamine | (4,6-dimethoxypyrimidin-5-yl)methanamine | 4,6-DIMETHOXYPYRIMIDIN-5-METHYL AMINE
Basic Information
CAS
1118786-90-5
Multi CAS
No
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
SMILES
COC1=C(C(=NC=N1)OC)CN
InChI
InChI=1S/C7H11N3O2/c1-11-6-5(3-8)7(12-2)10-4-9-6/h4H,3,8H2,1-2H3
InChIKey
HWSNTMODDYZABZ-UHFFFAOYSA-N
Synonyms
4,6-Dimethoxypyrimidin-5-methylamine
(4,6-dimethoxypyrimidin-5-yl)methanamine
4,6-DIMETHOXYPYRIMIDIN-5-METHYL AMINE
MFCD11858183
(4,6-dimethoxypyrimidin-5-yl)methylamine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.03
TPSA
70.26
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.3
Consensus LogP
-0.13
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-3.79
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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