![CAS 204929-06-6 2-Amino-4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/204929-06-6.gif)
CAS RN: 204929-06-6
2-Amino-4-chloro-6-methyl-7H-pyrrolo[2,3-d]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.20251207 | 10mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS204929-06-6
- Purity/Analytical Methods: >99.0%
204929-06-6 / 4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Basic Information
CAS
204929-06-6
Multi CAS
No
Molecular Formula
C7H7ClN4
Molecular Weight
182.610000
Exact Mass
182.035924
SMILES
CC1=CC2=C(N1)N=C(N=C2Cl)N
InChI
InChI=1S/C7H7ClN4/c1-3-2-4-5(8)11-7(9)12-6(4)10-3/h2H,1H3,(H3,9,10,11,12)
InChIKey
YMVHIBLXZDSJAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.05
TPSA
67.59
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
Curzerenone
- CAS RN: 20493-56-5
- Product Code: starshine_CAS20493-56-5
- Purity/Analytical method: >99.0%
-
3,7,4′-Trihydroxy-5-methoxy-8-prenylflavanone, (2R,3R)-
- CAS RN: 204935-85-3
- Product Code: starshine_CAS204935-85-3
- Purity/Analytical method: >99.0%
-
-
