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(R) -9BMS

CAT: 0926-FRC52768-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FRC52768-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1655527-68-6
Smiles
CN1CCN (CC1) C2=CC=C (C=C2) NC3=NC=C (C (=N3) NCC4CCCO4) Cl
Molecular Formula
C20H27ClN6O
Molecular Weight
402.9 g/mol
Controlled
No

Chemical Information

(R)-5-Chloro-N2-(4-(4-methylpiperazin-1-yl)phenyl)-N4-((tetrahydrofuran-2-yl)methyl)pyrimidine-2,4-diamine
CAS Number1655527-68-6
PubChem CID90479825
IUPAC Name5-chloro-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
Molecular FormulaC20H27ClN6O
Molecular Weight402.9
XLogP3.4
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity470
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC[C@H]4CCCO4)Cl
InChI
InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1
InChIKey
MMJSYUQCKWEFRW-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (R)-5-Chloro-N2-(4-(4-methylpiperazin-1-yl)phenyl)-N4-((tetrahydrofuran-2-yl)methyl)pyrimidine-2,4-diamine
CAS: 1655527-68-6
CID: 90479825
Formula: C20H27ClN6O
MW: 402.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.9
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass402.1934872
Monoisotopic Mass402.1934872
Topological Polar Surface Area65.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity470
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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Alternative Products

CatalogName
MBS3606917(R)-9bMS
M16923(R) -9bMS

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