Desmethyl-VS-5584 100mg

CAT: 0628-A10900-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A10900-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1246535-95-4

Chemical Information

5-(9-isopropyl-2-morpholino-9H-purin-6-yl)pyrimidin-2-amine

CAS Number	1246535-95-4
PubChem CID	70224122
IUPAC Name	5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
Molecular Formula	C16H20N8O
Molecular Weight	340.38
XLogP	0.4
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	438

SMILES

CC(C)N1C=NC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N

InChI

InChI=1S/C16H20N8O/c1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23/h7-10H,3-6H2,1-2H3,(H2,17,18,19)

InChIKey

NGDDJJKHNGAOCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1246535-95-4

CID: 70224122

Formula: C16H20N8O

MW: 340.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.38
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	340.17600729
Monoisotopic Mass	340.17600729
Topological Polar Surface Area	108 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	438
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes