[email protected]
CAS 1007-11-0 2,4-pyrimidinediamine, 6-chloro-N~4~,N~4~-dimethyl- molecular structure lightbox
CAS RN: 1007-11-0

2,4-pyrimidinediamine, 6-chloro-N~4~,N~4~-dimethyl-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 1g / 5g / 10g Out of stock 30 business days Inquiry
  • Product code: SSC-001365
GET A QUOTE
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: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1007-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1007-11-0 / 6-chloro-4-N,4-N-dimethylpyrimidine-2,4-diamine

6-chloro-n4,n4-dimethylpyrimidine-2,4-diamine | 6-chloro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine | MFCD13188630

Standard CAS: 1007-11-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1007-11-0
Multi CAS
Yes
Molecular Formula
C6H9ClN4
Molecular Weight
172.610000
Exact Mass
172.051574
SMILES
CN(C)C1=CC(=NC(=N1)N)Cl
InChI
InChI=1S/C6H9ClN4/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3,(H2,8,9,10)
InChIKey
FSSOQNSFFZSKAX-UHFFFAOYSA-N
Synonyms
6-chloro-n4,n4-dimethylpyrimidine-2,4-diamine 6-chloro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine MFCD13188630 6-chloro-4-N,4-N-dimethylpyrimidine-2,4-diamine 2,4-Pyrimidinediamine, 6-chloro-N4,N4-dimethyl-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.78
TPSA
55.04

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
1.3
Consensus LogP
0.92
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us