[email protected]
CAS 1416354-36-3 5-Iodo-7H-pyrrolo[2,3-d]pyriMidin-2-aMine molecular structure lightbox
CAS RN: 1416354-36-3

5-Iodo-7H-pyrrolo[2,3-d]pyriMidin-2-aMine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250718 100mg In stock Shanghai Inquiry
Batchno.20251101 1g In stock Shanghai Inquiry
Batchno.20250225 250mg In stock Shanghai Inquiry
Batchno.20250125 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250806 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1416354-36-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1416354-36-3 / 5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Standard CAS: 1416354-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416354-36-3
Multi CAS
No
Molecular Formula
C6H5IN4
Molecular Weight
260.040000
Exact Mass
259.955890
SMILES
C1=C(C2=CN=C(N=C2N1)N)I
InChI
InChI=1S/C6H5IN4/c7-4-2-9-5-3(4)1-10-6(8)11-5/h1-2H,(H3,8,9,10,11)
InChIKey
VAQOHRRKRVCAIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.02
TPSA
67.59

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
1
Consensus LogP
1.05
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us