![CAS 1638767-69-7 6-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-CARBOXYLIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-69-7.gif)
CAS RN: 1638767-69-7
6-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-CARBOXYLIC ACID METHYL ESTER
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.20251031 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1638767-69-7
- Purity/Analytical Methods: >99.0%
1638767-69-7 / methyl 6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
Basic Information
CAS
1638767-69-7
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CC1=CC2=C(N=CN=C2N1)C(=O)OC
InChI
InChI=1S/C9H9N3O2/c1-5-3-6-7(9(13)14-2)10-4-11-8(6)12-5/h3-4H,1-2H3,(H,10,11,12)
InChIKey
GUQLEUWWBRIBRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.97
TPSA
67.87
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
1.2
Consensus LogP
1.06
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.14
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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