NCGC00262650 50mg

CAT: 0628-A22535-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A22535-50Size:50 mg

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CAS Number

344359-25-7

Chemical Information

7-cyclopentyl-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

CAS Number	344359-25-7
PubChem CID	44381224
IUPAC Name	7-cyclopentyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Molecular Formula	C18H20N4O
Molecular Weight	308.4
XLogP	3
Topological Polar Surface Area	66
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	392

SMILES

COC1=CC=C(C=C1)C2=CN(C3=NC=NC(=C23)N)C4CCCC4

InChI

InChI=1S/C18H20N4O/c1-23-14-8-6-12(7-9-14)15-10-22(13-4-2-3-5-13)18-16(15)17(19)20-11-21-18/h6-11,13H,2-5H2,1H3,(H2,19,20,21)

InChIKey

BRUSFAZPHIPJRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 344359-25-7

CID: 44381224

Formula: C18H20N4O

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	308.16371127
Monoisotopic Mass	308.16371127
Topological Polar Surface Area	66 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	392
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

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