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CAS 4994-89-2 5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLAMINE molecular structure lightbox
CAS RN: 4994-89-2

5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 100mg / 1g / 5g Out of stock 1 business days Inquiry
  • Product code: starshine_CAS4994-89-2
  • Purity/Analytical Methods: >99.0%
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4994-89-2 / 5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Standard CAS: 4994-89-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4994-89-2
Multi CAS
Yes
Molecular Formula
C8H9N3S
Molecular Weight
179.240000
Exact Mass
179.051718
InChI
InChI=1S/C8H9N3S/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H2,9,10,11)
InChIKey
DJXOGZDFPCBFPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.3
TPSA
51.8

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.47

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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