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CAS 1261234-26-7 4-Chloro-5-methyl-2-(2-methyl-piperazin-1-yl)-pyrimidine hydrochloride molecular structure lightbox
CAS RN: 1261234-26-7

4-Chloro-5-methyl-2-(2-methyl-piperazin-1-yl)-pyrimidine hydrochloride

  • Product code: SSC-032411
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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: 0.25g
  • 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 1261234-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1261234-26-7 / 4-chloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine;hydrochloride

Standard CAS: 1261234-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261234-26-7
Multi CAS
No
Molecular Formula
C10H16Cl2N4
Molecular Weight
263.160000
Exact Mass
262.075202
SMILES
CC1CNCCN1C2=NC=C(C(=N2)Cl)C.Cl
InChI
InChI=1S/C10H15ClN4.ClH/c1-7-5-13-10(14-9(7)11)15-4-3-12-6-8(15)2;/h5,8,12H,3-4,6H2,1-2H3;1H
InChIKey
YMIXNJMOICRVQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.7
TPSA
41.05

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.66
Consensus LogP
1.6
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

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

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