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CAS 117077-93-7 (2,6-DICHLORO-PYRIMIDIN-4-YL)-DIMETHYL-AMINE molecular structure lightbox
CAS RN: 117077-93-7

(2,6-DICHLORO-PYRIMIDIN-4-YL)-DIMETHYL-AMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 100mg / 250mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016901
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: >98%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117077-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.1g >98% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g >98% 2 In Stock Beijing Inquiry
5g -- 2 In Stock Shanghai Inquiry
5g >98% 2 In Stock Shenzhen Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >98% 1 In Stock Shanghai Inquiry

117077-93-7 / 2,6-dichloro-N,N-dimethylpyrimidin-4-amine

2,6-dichloro-N,N-dimethylpyrimidin-4-amine | DTXSID40572776 | RefChem:248278

Standard CAS: 117077-93-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117077-93-7
Multi CAS
No
Molecular Formula
C6H7Cl2N3
Molecular Weight
192.040000
Exact Mass
191.001703
SMILES
CN(C)C1=CC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C6H7Cl2N3/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3
InChIKey
LXVKMWBQSJTIPX-UHFFFAOYSA-N
Synonyms
2,6-dichloro-N,N-dimethylpyrimidin-4-amine DTXSID40572776 RefChem:248278 DTXCID60523548 (2,6-dichloro-pyrimidin-4-yl)-dimethyl-amine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.38
TPSA
29.02

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
2.6
Consensus LogP
2.03
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.58

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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