![CAS 1638760-18-5 6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638760-18-5.gif)
CAS RN: 1638760-18-5
6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-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.20250123 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1638760-18-5
- Purity/Analytical Methods: >99.0%
1638760-18-5 / 6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Basic Information
CAS
1638760-18-5
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
CC1=CC2=CN=C(N=C2N1)N
InChI
InChI=1S/C7H8N4/c1-4-2-5-3-9-7(8)11-6(5)10-4/h2-3H,1H3,(H3,8,9,10,11)
InChIKey
GOCNRYDZTVESBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.04
TPSA
67.59
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.02
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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