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CAS 1202-22-8 4-CHLORO-2,6-BIS(DIMETHYLAMINO)PYRIMIDINE molecular structure lightbox
CAS RN: 1202-22-8

4-CHLORO-2,6-BIS(DIMETHYLAMINO)PYRIMIDINE

  • Product code: SSC-021026
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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, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1202-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

1202-22-8 / 6-chloro-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4-diamine

4-CHLORO-2,6-BIS(DIMETHYLAMINO)PYRIMIDINE | AI3-51893 | 2,4-Pyrimidinediamine, 6-chloro-N,N,N',N'-tetramethyl-

Standard CAS: 1202-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1202-22-8
Multi CAS
No
Molecular Formula
C8H13ClN4
Molecular Weight
200.670000
Exact Mass
200.082874
SMILES
CN(C)C1=CC(=NC(=N1)N(C)C)Cl
InChI
InChI=1S/C8H13ClN4/c1-12(2)7-5-6(9)10-8(11-7)13(3)4/h5H,1-4H3
InChIKey
WOYUZQVWDISJCF-UHFFFAOYSA-N
Synonyms
4-CHLORO-2,6-BIS(DIMETHYLAMINO)PYRIMIDINE AI3-51893 2,4-Pyrimidinediamine, 6-chloro-N,N,N',N'-tetramethyl- DTXSID70152727 RefChem:246932

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
55.7
TPSA
32.26

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
2.1
Consensus LogP
1.49
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.05

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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