2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine

C12H10FN5O — CID 25169483

IUPAC2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine
SMILESCOc1cccc(Nc2nc(F)nc3nc[nH]c23)c1
InChIInChI=1S/C12H10FN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyKJBRXNXZODWCMC-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.24
Rot. Bonds3

About 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine

2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine (PubChem CID 25169483) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine
PubChem CID25169483
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine
SMILESCOc1cccc(Nc2nc(F)nc3nc[nH]c23)c1
InChIInChI=1S/C12H10FN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyKJBRXNXZODWCMC-UHFFFAOYSA-N
XLogP2.24
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine?
The IUPAC name of 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine (CID 25169483) is 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine.
What is the SMILES notation for 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine?
The canonical SMILES for 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine is COc1cccc(Nc2nc(F)nc3nc[nH]c23)c1.
What is the InChIKey of 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine?
The InChIKey is KJBRXNXZODWCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine?
2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine has a molecular weight of 259.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxyphenyl)-7H-purin-6-amine is sourced from PubChem (CID 25169483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).