![CAS 2561455-12-5 Pyrido[3,2-d]pyrimidin-4-amine, 6-chloro-2-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2561455-12-5.gif)
CAS RN: 2561455-12-5
Pyrido[3,2-d]pyrimidin-4-amine, 6-chloro-2-methyl-
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.20250325 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2561455-12-5
- Purity/Analytical Methods: >99.0%
2561455-12-5 / 6-chloro-2-methylpyrido[3,2-d]pyrimidin-4-amine
Basic Information
CAS
2561455-12-5
Multi CAS
No
Molecular Formula
C8H7ClN4
Molecular Weight
194.620000
Exact Mass
194.035924
SMILES
CC1=NC2=C(C(=N1)N)N=C(C=C2)Cl
InChI
InChI=1S/C8H7ClN4/c1-4-11-5-2-3-6(9)13-7(5)8(10)12-4/h2-3H,1H3,(H2,10,11,12)
InChIKey
MUSIXQBWJQYRLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.49
TPSA
64.69
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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