CAS RN: 15231-63-7
2-Pyrimidinamine, N,4-dimethyl- (9CI)
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.20260426 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15231-63-7
- Purity/Analytical Methods: >99.0%
15231-63-7 / N,4-dimethylpyrimidin-2-amine
Basic Information
CAS
15231-63-7
Multi CAS
No
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
SMILES
CC1=NC(=NC=C1)NC
InChI
InChI=1S/C6H9N3/c1-5-3-4-8-6(7-2)9-5/h3-4H,1-2H3,(H,7,8,9)
InChIKey
OWTDCNVOLHLAEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.32
TPSA
37.81
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
XLogP3
0.9
Consensus LogP
0.82
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-2.88
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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