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IU2-6

CAT: 0013-GTR19208956-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208956-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IU2-6
CAS Number
1356074-25-3
Smiles
N (C) (C1=C2C3=C (SC2=NC=N1) CCCC3) C4CC4
Molecular Formula
C14H17N3S
Molecular Weight
259.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Cyclopropyl-N-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine
CAS Number1356074-25-3
PubChem CID56644389
IUPAC NameN-cyclopropyl-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Molecular FormulaC14H17N3S
Molecular Weight259.37
XLogP3.8
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity320
SMILES
CN(C1CC1)C2=C3C4=C(CCCC4)SC3=NC=N2
InChI
InChI=1S/C14H17N3S/c1-17(9-6-7-9)13-12-10-4-2-3-5-11(10)18-14(12)16-8-15-13/h8-9H,2-7H2,1H3
InChIKey
PGGINYVNLNKQRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Cyclopropyl-N-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine
CAS: 1356074-25-3
CID: 56644389
Formula: C14H17N3S
MW: 259.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.37
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass259.11431873
Monoisotopic Mass259.11431873
Topological Polar Surface Area57.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity320
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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