Name: Name:N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Brand: Angene
SKU: AG01C46V
Rating: 90 (10 reviews)

N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CAS No.:

56964-92-2

Catalog Number:

AG01C46V

Molecular Formula:

C10H15N5

Molecular Weight:

205.2596

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Product Description

Catalog Number:

AG01C46V

Chemical Name:

N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CAS Number:

56964-92-2

Molecular Formula:

C10H15N5

Molecular Weight:

205.2596

MDL Number:

MFCD12030468

IUPAC Name:

N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

InChI:

InChI=1S/C10H15N5/c1-7(2)3-4-11-9-8-5-14-15-10(8)13-6-12-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15)

InChI Key:

DDGRELYEXVSKCZ-UHFFFAOYSA-N

SMILES:

CC(CCNc1ncnc2c1cn[nH]2)C

Properties

Complexity:

196

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.133g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.265g/mol

Monoisotopic Mass:

205.133g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside transporter 1 (ENT1) inhibitory activity.	Bioorganic & medicinal chemistry 20080401