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CAS 1033735-94-2 GNE-493 molecular structure lightbox
CAS RN: 1033735-94-2

GNE-493

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10 package records6 with current stock2 grade groups
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Batchno.20250514 100mg In stock Inquiry
Batchno.20250210 10mg In stock Inquiry
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Batchno.20260329 50mg In stock Inquiry
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Batchno.20250823 250mg Out of stock Inquiry
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Batchno.20251026 50mg Out of stock Inquiry
  • Product code: starshine_CAS1033735-94-2
  • Purity/Analytical Methods: >99.0%
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1033735-94-2 / 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

GNE-493 | 2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol | 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

Standard CAS: 1033735-94-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1033735-94-2
Multi CAS
Yes
Molecular Formula
C17H20N6O2S
Molecular Weight
372.400000
Exact Mass
372.136845
SMILES
CC(C)(C1=CC2=C(S1)C(=NC(=N2)C3=CN=C(N=C3)N)N4CCOCC4)O
InChI
InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
InChIKey
LEXMMFPAPDGYGZ-UHFFFAOYSA-N
Synonyms
GNE-493 2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol 0L843LS9YK CHEMBL1084926

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
2
Molar refractivity
101.13
TPSA
110.28

LogP / Solubility

WLOGP
1.79
MLOGP
1.6
XLogP3
0.7
Consensus LogP
1.36
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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