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CAS 322691-38-3 4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinamine(SALTDATA: HCl 0.5H2O) molecular structure lightbox
CAS RN: 322691-38-3

4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinamine(SALTDATA: HCl 0.5H2O)

  • Product code: SSC-137826
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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 322691-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

322691-38-3 / 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Standard CAS: 322691-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
322691-38-3
Multi CAS
No
Molecular Formula
C9H14CLN5
Molecular Weight
227.690000
Exact Mass
227.093773
InChI
InChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKey
NIQPQNNFLHVTLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.16
TPSA
58.28

LogP / Solubility

WLOGP
0.46
MLOGP
0.41
XLogP3
1.1
Consensus LogP
0.66
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.78

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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