![CAS 1367911-97-4 THIENO[2,3-D]PYRIMIDIN-4(1H)-ONE, 6-AMINO- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1367911-97-4.gif)
CAS RN: 1367911-97-4
THIENO[2,3-D]PYRIMIDIN-4(1H)-ONE, 6-AMINO-
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.20250608 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1367911-97-4
- Purity/Analytical Methods: >99.0%
1367911-97-4 / 2-amino-3H-thieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
1367911-97-4
Multi CAS
No
Molecular Formula
C6H5N3OS
Molecular Weight
167.190000
Exact Mass
167.015333
SMILES
C1=CSC2=C1C(=O)NC(=N2)N
InChI
InChI=1S/C6H5N3OS/c7-6-8-4(10)3-1-2-11-5(3)9-6/h1-2H,(H3,7,8,9,10)
InChIKey
TZKXCIKFJQSZHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.65
TPSA
71.77
LogP / Solubility
WLOGP
0.57
MLOGP
0.49
XLogP3
0.1
Consensus LogP
0.39
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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