CAS RN: 58514-86-6
N-(6-chloro-2-phenyl-4-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.20250420 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58514-86-6
- Purity/Analytical Methods: >99.0%
58514-86-6 / 6-chloro-N,N-dimethyl-2-phenylpyrimidin-4-amine
Basic Information
CAS
58514-86-6
Multi CAS
No
Molecular Formula
C12H12CLN3
Molecular Weight
233.690000
Exact Mass
233.071975
InChI
InChI=1S/C12H12ClN3/c1-16(2)11-8-10(13)14-12(15-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
RWXVEFVRLTUGHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.81
TPSA
29.02
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
3.7
Consensus LogP
3.03
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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