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CAS 26786-73-2 7H-Pyrrolo[2,3-d]pyrimidine, 6-methyl- (8CI) molecular structure lightbox
CAS RN: 26786-73-2

7H-Pyrrolo[2,3-d]pyrimidine, 6-methyl- (8CI)

  • Product code: SSC-124950
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 26786-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

26786-73-2 / 6-methyl-7H-pyrrolo[2,3-d]pyrimidine

Standard CAS: 26786-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26786-73-2
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
InChI
InChI=1S/C7H7N3/c1-5-2-6-3-8-4-9-7(6)10-5/h2-4H,1H3,(H,8,9,10)
InChIKey
ZOUHLNBTOVPCKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.63
TPSA
41.57

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.63

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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