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CAS 1192064-63-3 2,5-Dichloro-4-methylpyrimidine molecular structure lightbox
CAS RN: 1192064-63-3

2,5-Dichloro-4-methylpyrimidine

  • Product code: SSC-019707
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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 1192064-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1192064-63-3 / 2,5-dichloro-4-methylpyrimidine

2,5-DICHLORO-4-METHYLPYRIMIDINE | DTXSID60611914 | RefChem:247355

Standard CAS: 1192064-63-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1192064-63-3
Multi CAS
No
Molecular Formula
C5H4Cl2N2
Molecular Weight
163.000000
Exact Mass
161.975154
SMILES
CC1=NC(=NC=C1Cl)Cl
InChI
InChI=1S/C5H4Cl2N2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3
InChIKey
NQQBBTQLATUFBF-UHFFFAOYSA-N
Synonyms
2,5-DICHLORO-4-METHYLPYRIMIDINE DTXSID60611914 RefChem:247355 DTXCID10562669 958-070-1

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
36.79
TPSA
25.78

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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