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VEGFR-2-IN-5

CAT: 0127-BUP02524-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02524-01Size:1 mg
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CAS Number
1430089-64-7
Synonyms
2, 4-Pyrimidinediamine with linker, UNC0064-12, 2,4-Pyrimidinediamine with linker
Purity
=80%
Smiles
NCCCNc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1

Chemical Information

2,4-Pyrimidinediamine with linker
CAS Number1430089-64-7
PubChem CID90369695
IUPAC Name2-N-[4-(3-aminopropylamino)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Molecular FormulaC19H24N8
Molecular Weight364.4
XLogP3.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity437
SMILES
C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NCCCN
InChI
InChI=1S/C19H24N8/c20-9-1-10-21-14-4-6-15(7-5-14)23-19-22-11-8-17(25-19)24-18-12-16(26-27-18)13-2-3-13/h4-8,11-13,21H,1-3,9-10,20H2,(H3,22,23,24,25,26,27)
InChIKey
UYYZTTPXKIYERF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Pyrimidinediamine with linker
CAS: 1430089-64-7
CID: 90369695
Formula: C19H24N8
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP33.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass364.21239280
Monoisotopic Mass364.21239280
Topological Polar Surface Area117 Ų
Heavy Atom Count27
Formal Charge0
Complexity437
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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Alternative Products

CatalogName
HY-18625-01VEGFR-2-IN-5
HY-163710HCA/VEGFR-2-IN-5
HY-18625A-01VEGFR-2-IN-5 (hydrochloride)
A20896-25VEGFR-2-IN-5 25mg
A20896-1VEGFR-2-IN-5 1mg
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A20896-100VEGFR-2-IN-5 100mg
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A20896-50VEGFR-2-IN-5 50mg
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