9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine

C15H17FN6 — CID 18440348

IUPAC9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine
SMILESCCn1cnc2c(N)nc(NCCc3ccccc3F)nc21
InChIInChI=1S/C15H17FN6/c1-2-22-9-19-12-13(17)20-15(21-14(12)22)18-8-7-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8H2,1H3,(H3,17,18,20,21)
InChIKeyNBDLRRDZIGGZJH-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.22
Rot. Bonds5

About 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine

9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine (PubChem CID 18440348) has the molecular formula C15H17FN6 and a molecular weight of 300.34 g/mol. Its IUPAC name is 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine
PubChem CID18440348
Molecular FormulaC15H17FN6
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine
SMILESCCn1cnc2c(N)nc(NCCc3ccccc3F)nc21
InChIInChI=1S/C15H17FN6/c1-2-22-9-19-12-13(17)20-15(21-14(12)22)18-8-7-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8H2,1H3,(H3,17,18,20,21)
InChIKeyNBDLRRDZIGGZJH-UHFFFAOYSA-N
XLogP2.22
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine
CID 91287110
9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
CID 18332703
9-benzyl-2-N-propylpurine-2,6-diamine
CID 18332707
9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
9-ethyl-2-(2-phenylethoxy)purin-6-amine
CID 18440387
2-N-benzyl-9-prop-2-ynylpurine-2,6-diamine
CID 140535355
4-[[6-[(2-amino-5-fluorophenyl)methylamino]-9-ethylpurin-2-yl]amino]-2-methylbutan-2-ol
CID 67003227
[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]methyl-methyl-oxophosphanium
CID 71133718
5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554049
9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
CID 54053692
4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932542

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine?
The IUPAC name of 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine (CID 18440348) is 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine.
What is the SMILES notation for 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine?
The canonical SMILES for 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine is CCn1cnc2c(N)nc(NCCc3ccccc3F)nc21.
What is the InChIKey of 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine?
The InChIKey is NBDLRRDZIGGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6/c1-2-22-9-19-12-13(17)20-15(21-14(12)22)18-8-7-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8H2,1H3,(H3,17,18,20,21).
What are the key properties of 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine?
9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine has a molecular weight of 300.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine is sourced from PubChem (CID 18440348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).