![CAS 2227197-38-6 (3R,4R)-N,1,4-trimethyl-N-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227197-38-6.gif)
CAS RN: 2227197-38-6
(3R,4R)-N,1,4-trimethyl-N-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-3-amine
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.20260220 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2227197-38-6
- Purity/Analytical Methods: >99.0%
2227197-38-6 / N-[(3R,4R)-1,4-dimethylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Basic Information
CAS
2227197-38-6
Multi CAS
No
Molecular Formula
C14H21N5
Molecular Weight
259.350000
Exact Mass
259.179696
SMILES
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C
InChI
InChI=1S/C14H21N5/c1-10-5-7-18(2)8-12(10)19(3)14-11-4-6-15-13(11)16-9-17-14/h4,6,9-10,12H,5,7-8H2,1-3H3,(H,15,16,17)/t10-,12+/m1/s1
InChIKey
UCFDYZNTNVHTGH-PWSUYJOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.36
TPSA
48.05
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
2.1
Consensus LogP
1.79
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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