9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine

C18H14F2N6 — CID 161093671

IUPAC9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine
SMILESCc1nc(N)c2nc(-c3cncc(F)c3)n(Cc3ccccc3F)c2n1
InChIInChI=1S/C18H14F2N6/c1-10-23-16(21)15-18(24-10)26(9-11-4-2-3-5-14(11)20)17(25-15)12-6-13(19)8-22-7-12/h2-8H,9H2,1H3,(H2,21,23,24)
InChIKeyUHMUFYSOVSQKEF-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.11
Rot. Bonds3

About 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine

9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine (PubChem CID 161093671) has the molecular formula C18H14F2N6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine.

Molecular Properties

Compound Name9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine
PubChem CID161093671
Molecular FormulaC18H14F2N6
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine
SMILESCc1nc(N)c2nc(-c3cncc(F)c3)n(Cc3ccccc3F)c2n1
InChIInChI=1S/C18H14F2N6/c1-10-23-16(21)15-18(24-10)26(9-11-4-2-3-5-14(11)20)17(25-15)12-6-13(19)8-22-7-12/h2-8H,9H2,1H3,(H2,21,23,24)
InChIKeyUHMUFYSOVSQKEF-UHFFFAOYSA-N
XLogP3.11
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[6-amino-2-ethoxy-8-(5-fluoro-3-pyridinyl)purin-9-yl]methyl]-4-fluorobenzonitrile
CID 138701038
9-[[2-fluoro-4-(piperidin-4-ylmethyl)phenyl]methyl]-8-(5-fluoro-3-pyridinyl)-2,6-dimethylpurine
CID 159919613
9-[(6-chloro-2-pyridinyl)methyl]-2-ethyl-8-(5-fluoro-3-pyridinyl)purin-6-amine
CID 145389859
[3-fluoro-4-[[8-(5-fluoro-3-pyridinyl)-2-methoxy-6-methylpurin-9-yl]methyl]phenyl]methanol
CID 138700815
9-[[4-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-isocyanophenyl]methyl]-8-(5-fluoro-3-pyridinyl)-2,6-dimethylpurine
CID 158926946
9-[[4-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]-8-(5-fluoro-3-pyridinyl)-2-methoxypurin-6-amine
CID 138700990
1-[4-[4-[[6-amino-8-(5-fluoro-3-pyridinyl)-2-methylpurin-9-yl]methyl]phenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;8-(5-fluoro-3-pyridinyl)-2-methyl-9-[(4-piperidin-4-ylphenyl)methyl]purin-6-amine;2,2,2-trifluoroacetic acid
CID 161113366
[4-[[6-amino-8-(5-fluoro-3-pyridinyl)-2-(2-methoxyethoxy)purin-9-yl]methyl]phenyl]-methoxymethanol
CID 166713755
2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]purin-6-amine
CID 138700997
5-[[6-amino-2-ethoxy-8-(5-fluoro-3-pyridinyl)purin-9-yl]methyl]-1,2-oxazole-3-carbaldehyde
CID 138701020
9-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methyl]-8-(5-fluoro-3-pyridinyl)-2-(2-methoxyethoxy)purin-6-amine
CID 138700936
9-[[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-8-(5-fluoro-3-pyridinyl)-2-methoxy-6-methylpurine
CID 138676810

Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine?
The IUPAC name of 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine (CID 161093671) is 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine.
What is the SMILES notation for 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine?
The canonical SMILES for 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine is Cc1nc(N)c2nc(-c3cncc(F)c3)n(Cc3ccccc3F)c2n1.
What is the InChIKey of 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine?
The InChIKey is UHMUFYSOVSQKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6/c1-10-23-16(21)15-18(24-10)26(9-11-4-2-3-5-14(11)20)17(25-15)12-6-13(19)8-22-7-12/h2-8H,9H2,1H3,(H2,21,23,24).
What are the key properties of 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine?
9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine has a molecular weight of 352.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluorophenyl)methyl]-8-(5-fluoro-3-pyridinyl)-2-methylpurin-6-amine is sourced from PubChem (CID 161093671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).