CAS RN: 13012-26-5
N-(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)-N,N-DIMETHYLAMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13012-26-5
- Purity/Analytical Methods: >99.0%
13012-26-5 / 4-chloro-6-methoxy-N,N-dimethylpyrimidin-2-amine
Basic Information
CAS
13012-26-5
Multi CAS
No
Molecular Formula
C7H10ClN3O
Molecular Weight
187.630000
Exact Mass
187.051240
SMILES
CN(C)C1=NC(=CC(=N1)Cl)OC
InChI
InChI=1S/C7H10ClN3O/c1-11(2)7-9-5(8)4-6(10-7)12-3/h4H,1-3H3
InChIKey
JPMVSOQQUQLZJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
47.92
TPSA
38.25
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.9
Consensus LogP
1.39
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.01
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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