6-(2-fluoroethoxy)-9-methylpurin-2-amine

C8H10FN5O — CID 166445108

IUPAC6-(2-fluoroethoxy)-9-methylpurin-2-amine
SMILESCn1cnc2c(OCCF)nc(N)nc21
InChIInChI=1S/C8H10FN5O/c1-14-4-11-5-6(14)12-8(10)13-7(5)15-3-2-9/h4H,2-3H2,1H3,(H2,10,12,13)
InChIKeyNAURJNYFQCLZTK-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.29
Rot. Bonds3

About 6-(2-fluoroethoxy)-9-methylpurin-2-amine

6-(2-fluoroethoxy)-9-methylpurin-2-amine (PubChem CID 166445108) has the molecular formula C8H10FN5O and a molecular weight of 211.20 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-9-methylpurin-2-amine.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-9-methylpurin-2-amine
PubChem CID166445108
Molecular FormulaC8H10FN5O
Molecular Weight211.20 g/mol
Exact Mass211.09
IUPAC Name6-(2-fluoroethoxy)-9-methylpurin-2-amine
SMILESCn1cnc2c(OCCF)nc(N)nc21
InChIInChI=1S/C8H10FN5O/c1-14-4-11-5-6(14)12-8(10)13-7(5)15-3-2-9/h4H,2-3H2,1H3,(H2,10,12,13)
InChIKeyNAURJNYFQCLZTK-UHFFFAOYSA-N
XLogP0.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-9-methylpurin-2-amine?
The IUPAC name of 6-(2-fluoroethoxy)-9-methylpurin-2-amine (CID 166445108) is 6-(2-fluoroethoxy)-9-methylpurin-2-amine.
What is the SMILES notation for 6-(2-fluoroethoxy)-9-methylpurin-2-amine?
The canonical SMILES for 6-(2-fluoroethoxy)-9-methylpurin-2-amine is Cn1cnc2c(OCCF)nc(N)nc21.
What is the InChIKey of 6-(2-fluoroethoxy)-9-methylpurin-2-amine?
The InChIKey is NAURJNYFQCLZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5O/c1-14-4-11-5-6(14)12-8(10)13-7(5)15-3-2-9/h4H,2-3H2,1H3,(H2,10,12,13).
What are the key properties of 6-(2-fluoroethoxy)-9-methylpurin-2-amine?
6-(2-fluoroethoxy)-9-methylpurin-2-amine has a molecular weight of 211.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-9-methylpurin-2-amine is sourced from PubChem (CID 166445108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).