![CAS 1368194-74-4 7H-pyrrolo[2,3-d]pyrimidin-2-ylmethanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1368194-74-4.gif)
CAS RN: 1368194-74-4
7H-pyrrolo[2,3-d]pyrimidin-2-ylmethanamine
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.20250128 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1368194-74-4
- Purity/Analytical Methods: >99.0%
1368194-74-4 / 7H-pyrrolo[2,3-d]pyrimidin-2-ylmethanamine
Basic Information
CAS
1368194-74-4
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
C1=CNC2=NC(=NC=C21)CN
InChI
InChI=1S/C7H8N4/c8-3-6-10-4-5-1-2-9-7(5)11-6/h1-2,4H,3,8H2,(H,9,10,11)
InChIKey
IQXACNBYZONFFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.78
TPSA
67.59
LogP / Solubility
WLOGP
0.42
MLOGP
0.36
XLogP3
-0.4
Consensus LogP
0.13
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-3.33
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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