CAS RN: 1033366-59-4
4-amino-5,6-dimethyl thieno(2,3-d)pyrimidin-2(1H)-one hydrochloride
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.20251103 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1033366-59-4
- Purity/Analytical Methods: >99.0%
1033366-59-4 / 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-one;hydrochloride
4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2(1H)-one hydrochloride | Thieno[2,3-d]pyrimidin-2(1H)-one, 4-amino-5,6-dimethyl-, hydrochloride (1:1) | WT1D7RF5N8
Basic Information
CAS
1033366-59-4
Multi CAS
Yes
Molecular Formula
C8H10ClN3OS
Molecular Weight
231.700000
Exact Mass
231.023311
SMILES
CC1=C(SC2=NC(=O)NC(=C12)N)C.Cl
InChI
InChI=1S/C8H9N3OS.ClH/c1-3-4(2)13-7-5(3)6(9)10-8(12)11-7;/h1-2H3,(H3,9,10,11,12);1H
InChIKey
NHYFUIDCZUDTSL-UHFFFAOYSA-N
Synonyms
4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2(1H)-one hydrochloride
Thieno[2,3-d]pyrimidin-2(1H)-one, 4-amino-5,6-dimethyl-, hydrochloride (1:1)
WT1D7RF5N8
UNII-WT1D7RF5N8
4-Amino-5,6-dimethylthieno(2,3-d)pyrimidin-2(1H)-one hydrochloride
Physical Properties
Physical Description
White to off-white powder; Sweet aroma
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.38
TPSA
71.77
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.61
Consensus LogP
1.55
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.99
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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