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Compound Fr13046

CAT: 0931-Fr13046-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13046-03Size:10 mg
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CAS Number
651292-53-4
Bioactivity
Compound Fr13046, with CAS No. 651292-53-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13046 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.
Smiles
CC(C)NC1N=C(C=CN=1)C(F)(F)F
Molecular Formula
C8H10F3N3
Molecular Weight
205.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine

N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine is an aminopyrimidine.

CAS Number651292-53-4
PubChem CID2796113
IUPAC NameN-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
Molecular FormulaC8H10F3N3
Molecular Weight205.18
XLogP2.2
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity181
SMILES
CC(C)NC1=NC=CC(=N1)C(F)(F)F
InChI
InChI=1S/C8H10F3N3/c1-5(2)13-7-12-4-3-6(14-7)8(9,10)11/h3-5H,1-2H3,(H,12,13,14)
InChIKey
SSVFVGRBHSWSPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CAS: 651292-53-4
CID: 2796113
Formula: C8H10F3N3
MW: 205.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.18
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass205.08268182
Monoisotopic Mass205.08268182
Topological Polar Surface Area37.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity181
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

Related Products

CatalogName
Fr13026-01Compound Fr13026
Fr13045-01Compound Fr13045
Fr14046-01Compound Fr14046
Fr13346-01Compound Fr13346
Fr13047-01Compound Fr13047
Fr13042-01Compound Fr13042
Fr13016-01Compound Fr13016
Fr13846-01Compound Fr13846
Fr13546-01Compound Fr13546
Fr13146-01Compound Fr13146

Alternative Products

CatalogName
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C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
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