![CAS 1202885-72-0 2-Chloro-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1202885-72-0.gif)
CAS RN: 1202885-72-0
2-Chloro-4-(morpholin-4-yl)-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.20250927 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1202885-72-0
- Purity/Analytical Methods: >99.0%
1202885-72-0 / 4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine | 2-Chloro-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine | 2-chloro-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1202885-72-0
Multi CAS
No
Molecular Formula
C10H11ClN4O
Molecular Weight
238.670000
Exact Mass
238.062139
SMILES
C1COCCN1C2=NC(=NC3=C2C=CN3)Cl
InChI
InChI=1S/C10H11ClN4O/c11-10-13-8-7(1-2-12-8)9(14-10)15-3-5-16-6-4-15/h1-2H,3-6H2,(H,12,13,14)
InChIKey
ZDAFERBEWASSAV-UHFFFAOYSA-N
Synonyms
4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
2-Chloro-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
2-chloro-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
MFCD17012058
4-{2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl}morpholine
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.93
TPSA
54.04
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.7
Consensus LogP
1.48
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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