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MRT68921

CAT: 0127-BUP05833-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05833-01Size:2 mg
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CAS Number
1190379-70-4
Synonyms
MRT68921 HCl
Purity
=98%
Smiles
N(CCCNC(=O)C1CCC1)C=2C(=CN=C(NC=3C=C4C(=CC3)CN(C)CC4)N2)C5CC5
Storage Conditions
Store at -20°C

Chemical Information

N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide
CAS Number1190379-70-4
PubChem CID59225335
IUPAC NameN-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
Molecular FormulaC25H34N6O
Molecular Weight434.6
XLogP4.4
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity624
SMILES
CN1CCC2=C(C1)C=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4CCC4)C5CC5
InChI
InChI=1S/C25H34N6O/c1-31-13-10-19-14-21(9-8-20(19)16-31)29-25-28-15-22(17-6-7-17)23(30-25)26-11-3-12-27-24(32)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,27,32)(H2,26,28,29,30)
InChIKey
KKISLZKMBSCLSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide
CAS: 1190379-70-4
CID: 59225335
Formula: C25H34N6O
MW: 434.6
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight434.6
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass434.27940973
Monoisotopic Mass434.27940973
Topological Polar Surface Area82.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity624
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

Alternative Products

CatalogName
GTR19167974-01MRT68921
T5356-01MRT68921 HCl
GTR19165767-01MRT68921 dihydrochloride
HY-100006A-01MRT68921 (dihydrochloride)
A15880-5MRT68921 5mg
HY-100006BMRT68921 (hydrochloride)
A15880-50MRT68921 50mg
A15880-25MRT68921 25mg

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