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GNE-317 10mg

CAT: 0628-A13992-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13992-10Size:10 mg
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CAS Number
1394076-92-6

Chemical Information

5-(6-(3-Methoxyoxetan-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CAS Number1394076-92-6
PubChem CID70676303
IUPAC Name5-[6-(3-methoxyoxetan-3-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
Molecular FormulaC19H22N6O3S
Molecular Weight414.5
XLogP0.5
Topological Polar Surface Area137
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity570
SMILES
CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC
InChI
InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22)
InChIKey
XOZLHJMDLKDZAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(6-(3-Methoxyoxetan-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CAS: 1394076-92-6
CID: 70676303
Formula: C19H22N6O3S
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass414.14740976
Monoisotopic Mass414.14740976
Topological Polar Surface Area137 Ų
Heavy Atom Count29
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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