2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine

C12H11FN6 — CID 140906921

IUPAC2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
SMILES[11CH3]n1cnc2c(NCc3cccnc3)nc(F)nc21
InChIInChI=1S/C12H11FN6/c1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8/h2-5,7H,6H2,1H3,(H,15,17,18)/i1-1
InChIKeyODVAYBMYSUUCII-BJUDXGSMSA-N
MW257.26 g/mol
LogP1.51
Rot. Bonds3

About 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine

2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine (PubChem CID 140906921) has the molecular formula C12H11FN6 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
PubChem CID140906921
Molecular FormulaC12H11FN6
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
SMILES[11CH3]n1cnc2c(NCc3cccnc3)nc(F)nc21
InChIInChI=1S/C12H11FN6/c1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8/h2-5,7H,6H2,1H3,(H,15,17,18)/i1-1
InChIKeyODVAYBMYSUUCII-BJUDXGSMSA-N
XLogP1.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol
CID 78073451
6-chloro-N-[[4-[[2-fluoro-6-(pyridin-3-ylmethylamino)purin-9-yl]methyl]phenyl]methyl]-2-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 146289671
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine
CID 59279636
2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080067
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
2-N-[(3R)-2-methylpentan-3-yl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 91472245
1-[[9-butan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]-2-methylpropan-2-ol;ethane
CID 142862962
1-[3-[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]phenyl]ethanone
CID 117084022
2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 81000914
2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine
CID 10385996

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The IUPAC name of 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine (CID 140906921) is 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine.
What is the SMILES notation for 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The canonical SMILES for 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine is [11CH3]n1cnc2c(NCc3cccnc3)nc(F)nc21.
What is the InChIKey of 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The InChIKey is ODVAYBMYSUUCII-BJUDXGSMSA-N. The full InChI is InChI=1S/C12H11FN6/c1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8/h2-5,7H,6H2,1H3,(H,15,17,18)/i1-1.
What are the key properties of 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine has a molecular weight of 257.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine is sourced from PubChem (CID 140906921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).