CAS RN: 175137-09-4
6-(4-CHLOROPHENYL)PYRIMIDINE-2,4-DIAMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250214 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS175137-09-4
- Purity/Analytical Methods: >99.0%
175137-09-4 / 6-(4-chlorophenyl)pyrimidine-2,4-diamine
Basic Information
CAS
175137-09-4
Multi CAS
No
Molecular Formula
C10H9ClN4
Molecular Weight
220.660000
Exact Mass
220.051574
SMILES
C1=CC(=CC=C1C2=CC(=NC(=N2)N)N)Cl
InChI
InChI=1S/C10H9ClN4/c11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15)
InChIKey
RGQMMCAWKASJGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.3
TPSA
77.82
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
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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