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Compound Fr13125

CAT: 0013-GTR19269878-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269878-01Size:1 mg
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Description
Compound Fr13125, with CAS No. 676546-07-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13125 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
676546-07-9
Smiles
CC (C) Nc1ncnc2c (C) csc12
Molecular Formula
C10H13N3S
Molecular Weight
207.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-methyl-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine

N4-isopropyl-7-methylthieno[3,2-d]pyrimidin-4-amine is an organic heterobicyclic compound, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

CAS Number676546-07-9
PubChem CID2808061
IUPAC Name7-methyl-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
Molecular FormulaC10H13N3S
Molecular Weight207.30
XLogP2.8
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity198
SMILES
CC1=CSC2=C1N=CN=C2NC(C)C
InChI
InChI=1S/C10H13N3S/c1-6(2)13-10-9-8(11-5-12-10)7(3)4-14-9/h4-6H,1-3H3,(H,11,12,13)
InChIKey
LETYJJRSWXSKRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-methyl-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CAS: 676546-07-9
CID: 2808061
Formula: C10H13N3S
MW: 207.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.30
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass207.08301860
Monoisotopic Mass207.08301860
Topological Polar Surface Area66.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity198
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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