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CAS 51047-52-0 4-(Piperazin-1-yl)pyriMidine molecular structure lightbox
CAS RN: 51047-52-0

4-(Piperazin-1-yl)pyriMidine

  • Product code: SSC-157819
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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 51047-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

51047-52-0 / 4-piperazin-1-ylpyrimidine

Standard CAS: 51047-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51047-52-0
Multi CAS
No
Molecular Formula
C8H12N4
Molecular Weight
164.210000
Exact Mass
164.106196
InChI
InChI=1S/C8H12N4/c1-2-10-7-11-8(1)12-5-3-9-4-6-12/h1-2,7,9H,3-6H2
InChIKey
CBQYFXRCWSZCQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.11
TPSA
41.05

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.1
Consensus LogP
-0.07
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.8

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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