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 |
1193-74-4 / 4,5-dimethylpyrimidin-2-amine
4,5-dimethylpyrimidin-2-amine | 2-Pyrimidinamine, 4,5-dimethyl- | MFCD00151982
Basic Information
CAS
1193-74-4
Multi CAS
Yes
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
SMILES
CC1=CN=C(N=C1C)N
InChI
InChI=1S/C6H9N3/c1-4-3-8-6(7)9-5(4)2/h3H,1-2H3,(H2,7,8,9)
InChIKey
IELZPOFKHRZRGS-UHFFFAOYSA-N
Synonyms
4,5-dimethylpyrimidin-2-amine
2-Pyrimidinamine, 4,5-dimethyl-
MFCD00151982
2-amino-4,5-dimethylpyrimidine
2-Pyrimidinamine, 4,5-dimethyl- (9CI)
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.92
TPSA
51.8
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
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)
-2.99
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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- CAS RN: 119-41-5
- Product Code: starshine_CAS119-41-5
- Purity/Analytical method: >99.0%
