CAS RN: 53461-40-8
4-CHLORO-6-METHYL-2-(1-PYRROLIDINYL)PYRIMIDINE
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.20251030 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53461-40-8
- Purity/Analytical Methods: >99.0%
53461-40-8 / 4-chloro-6-methyl-2-pyrrolidin-1-ylpyrimidine
Basic Information
CAS
53461-40-8
Multi CAS
No
Molecular Formula
C9H12CLN3
Molecular Weight
197.660000
Exact Mass
197.071975
InChI
InChI=1S/C9H12ClN3/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKey
MKWZTGQAQGJTNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.23
TPSA
29.02
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
2.5
Consensus LogP
2.11
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.48
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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