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EPZ-015666

CAT: 0572-TRC-E592100-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E592100-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1616391-65-1
Synonyms
N-[(2S)-3-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-hydroxypropyl]-6-(3-oxetanylamino)-4-pyrimidinecarboxamide
Hazard Statement
May be harmful if swallowed.
Smiles
O[C@@H](CNC(C1=NC=NC(NC2COC2)=C1)=O)CN3CC4=CC=CC=C4CC3
Molecular Formula
C20H25N5O3
Molecular Weight
383.44
InChI
InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1
Additionnal Information
IUPAC name: (S)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Epz015666
CAS Number1616391-65-1
PubChem CID90241673
IUPAC NameN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
Molecular FormulaC20H25N5O3
Molecular Weight383.4
XLogP0.8
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity518
SMILES
C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CC(=NC=N3)NC4COC4)O
InChI
InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1
InChIKey
ZKXZLIFRWWKZRY-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Epz015666
CAS: 1616391-65-1
CID: 90241673
Formula: C20H25N5O3
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass383.19573968
Monoisotopic Mass383.19573968
Topological Polar Surface Area99.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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