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CAS 2098048-53-2 1-(pyrimidin-2-yl)pyrrolidin-3-amine dihydrochloride molecular structure lightbox
CAS RN: 2098048-53-2

1-(pyrimidin-2-yl)pyrrolidin-3-amine dihydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250902 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-099666
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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 2098048-53-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2098048-53-2 / 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride

Standard CAS: 2098048-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2098048-53-2
Multi CAS
No
Molecular Formula
C8H14Cl2N4
Molecular Weight
237.130000
Exact Mass
236.059552
SMILES
C1CN(CC1N)C2=NC=CC=N2.Cl.Cl
InChI
InChI=1S/C8H12N4.2ClH/c9-7-2-5-12(6-7)8-10-3-1-4-11-8;;/h1,3-4,7H,2,5-6,9H2;2*1H
InChIKey
HDEIFSHZQSDEJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.33
TPSA
55.04

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
0.86
Consensus LogP
0.83
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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