N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine

C15H17N5O2 — CID 11415328

IUPACN-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine
SMILESc1coc(CNc2ncnc3c2ncn3C2CCCCO2)c1
InChIInChI=1S/C15H17N5O2/c1-2-6-22-12(5-1)20-10-19-13-14(17-9-18-15(13)20)16-8-11-4-3-7-21-11/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,16,17,18)
InChIKeyVUEOUOLENQRIDI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.73
Rot. Bonds4

About N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine

N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine (PubChem CID 11415328) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine
PubChem CID11415328
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine
SMILESc1coc(CNc2ncnc3c2ncn3C2CCCCO2)c1
InChIInChI=1S/C15H17N5O2/c1-2-6-22-12(5-1)20-10-19-13-14(17-9-18-15(13)20)16-8-11-4-3-7-21-11/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,16,17,18)
InChIKeyVUEOUOLENQRIDI-UHFFFAOYSA-N
XLogP2.73
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine (CID 11415328) is N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine is c1coc(CNc2ncnc3c2ncn3C2CCCCO2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine?
The InChIKey is VUEOUOLENQRIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-6-22-12(5-1)20-10-19-13-14(17-9-18-15(13)20)16-8-11-4-3-7-21-11/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,16,17,18).
What are the key properties of N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine?
N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine has a molecular weight of 299.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine is sourced from PubChem (CID 11415328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).