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CAS 27174-60-3 4-Chloro-6-(4-methyl-1-piperazinyl)pyrimidine molecular structure lightbox
CAS RN: 27174-60-3

4-Chloro-6-(4-methyl-1-piperazinyl)pyrimidine

  • Product code: SSC-126014
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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 27174-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

27174-60-3 / 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidine

Standard CAS: 27174-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27174-60-3
Multi CAS
No
Molecular Formula
C9H13ClN4
Molecular Weight
212.680000
Exact Mass
212.082874
SMILES
CN1CCN(CC1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C9H13ClN4/c1-13-2-4-14(5-3-13)9-6-8(10)11-7-12-9/h6-7H,2-5H2,1H3
InChIKey
KOWHHKHQQJATPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
56.75
TPSA
32.26

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
1.4
Consensus LogP
1.02
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.39

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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