![CAS 1421312-14-2 2-AMino-7,8-dihydro-6H-pyrido[3,2-d]pyriMidine-5-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52641295(1).gif)
CAS RN: 1421312-14-2
2-AMino-7,8-dihydro-6H-pyrido[3,2-d]pyriMidine-5-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260423 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1421312-14-2
- Purity/Analytical Methods: >99.0%
1421312-14-2 / tert-butyl 2-amino-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylate
Basic Information
CAS
1421312-14-2
Multi CAS
No
Molecular Formula
C12H18N4O2
Molecular Weight
250.300000
Exact Mass
250.142976
SMILES
CC(C)(C)OC(=O)N1CCCC2=NC(=NC=C21)N
InChI
InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)16-6-4-5-8-9(16)7-14-10(13)15-8/h7H,4-6H2,1-3H3,(H2,13,14,15)
InChIKey
HJEYVNMAGFIZOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.35
TPSA
81.34
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1
Consensus LogP
1.43
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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