9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine

C14H14FN5 — CID 54049040

IUPAC9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine
SMILESCN(C)c1ncc2ncn(Cc3ccccc3F)c2n1
InChIInChI=1S/C14H14FN5/c1-19(2)14-16-7-12-13(18-14)20(9-17-12)8-10-5-3-4-6-11(10)15/h3-7,9H,8H2,1-2H3
InChIKeyLROXKHVHODIVEL-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.08
Rot. Bonds3

About 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine

9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine (PubChem CID 54049040) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine.

Molecular Properties

Compound Name9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine
PubChem CID54049040
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine
SMILESCN(C)c1ncc2ncn(Cc3ccccc3F)c2n1
InChIInChI=1S/C14H14FN5/c1-19(2)14-16-7-12-13(18-14)20(9-17-12)8-10-5-3-4-6-11(10)15/h3-7,9H,8H2,1-2H3
InChIKeyLROXKHVHODIVEL-UHFFFAOYSA-N
XLogP2.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine?
The IUPAC name of 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine (CID 54049040) is 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine.
What is the SMILES notation for 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine?
The canonical SMILES for 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine is CN(C)c1ncc2ncn(Cc3ccccc3F)c2n1.
What is the InChIKey of 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine?
The InChIKey is LROXKHVHODIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-19(2)14-16-7-12-13(18-14)20(9-17-12)8-10-5-3-4-6-11(10)15/h3-7,9H,8H2,1-2H3.
What are the key properties of 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine?
9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine has a molecular weight of 271.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-2-amine is sourced from PubChem (CID 54049040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).