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CAS 1256353-14-6 6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyriMidin-2-aMine molecular structure lightbox
CAS RN: 1256353-14-6

6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyriMidin-2-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-030427
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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 1256353-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1256353-14-6 / 6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine

Standard CAS: 1256353-14-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256353-14-6
Multi CAS
No
Molecular Formula
C13H14N4
Molecular Weight
226.280000
Exact Mass
226.121846
SMILES
C1C2=CN=C(N=C2CN1CC3=CC=CC=C3)N
InChI
InChI=1S/C13H14N4/c14-13-15-6-11-8-17(9-12(11)16-13)7-10-4-2-1-3-5-10/h1-6H,7-9H2,(H2,14,15,16)
InChIKey
GEVBPDWWIHZQOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.84
TPSA
55.04

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
0.8
Consensus LogP
1.25
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.98

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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