2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine

C15H14FN5O — CID 123845632

IUPAC2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine
SMILESCc1cc2c(cc1Cc1nc3nc(F)nc(N)c3[nH]1)OCC2
InChIInChI=1S/C15H14FN5O/c1-7-4-8-2-3-22-10(8)5-9(7)6-11-18-12-13(17)20-15(16)21-14(12)19-11/h4-5H,2-3,6H2,1H3,(H3,17,18,19,20,21)
InChIKeyGWAKLDBIWCIWMU-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.91
Rot. Bonds2

About 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine

2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine (PubChem CID 123845632) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine
PubChem CID123845632
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine
SMILESCc1cc2c(cc1Cc1nc3nc(F)nc(N)c3[nH]1)OCC2
InChIInChI=1S/C15H14FN5O/c1-7-4-8-2-3-22-10(8)5-9(7)6-11-18-12-13(17)20-15(16)21-14(12)19-11/h4-5H,2-3,6H2,1H3,(H3,17,18,19,20,21)
InChIKeyGWAKLDBIWCIWMU-UHFFFAOYSA-N
XLogP1.91
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine?
The IUPAC name of 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine (CID 123845632) is 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine is Cc1cc2c(cc1Cc1nc3nc(F)nc(N)c3[nH]1)OCC2.
What is the InChIKey of 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine?
The InChIKey is GWAKLDBIWCIWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-7-4-8-2-3-22-10(8)5-9(7)6-11-18-12-13(17)20-15(16)21-14(12)19-11/h4-5H,2-3,6H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine?
2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine has a molecular weight of 299.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 123845632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).