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FMK-MEA

CAT: 0607-BA6548-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6548-5Size:5 mg
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CAS Number
1414811-15-6
Form
A solid
Molecular Formula
C21H26FN5O2
Molecular Weight
399.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C, protect from light.

Chemical Information

Fmk-mea

1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone is a member of pyrroles.

CAS Number1414811-15-6
PubChem CID56965963
IUPAC Name1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone
Molecular FormulaC21H26FN5O2
Molecular Weight399.5
XLogP2.4
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity517
SMILES
CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCNCCOC)C(=O)CF
InChI
InChI=1S/C21H26FN5O2/c1-14-4-6-15(7-5-14)17-18-20(23)25-13-26-21(18)27(19(17)16(28)12-22)10-3-8-24-9-11-29-2/h4-7,13,24H,3,8-12H2,1-2H3,(H2,23,25,26)
InChIKey
UPTQGXMIZXGVSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmk-mea
CAS: 1414811-15-6
CID: 56965963
Formula: C21H26FN5O2
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass399.20705325
Monoisotopic Mass399.20705325
Topological Polar Surface Area95.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity517
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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