2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one

C10H9N5O2 — CID 135723893

IUPAC2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one
SMILESNc1nc2nc(Cc3ccco3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C10H9N5O2/c11-10-14-8-7(9(16)15-10)12-6(13-8)4-5-2-1-3-17-5/h1-3H,4H2,(H4,11,12,13,14,15,16)
InChIKeyQWMAETSCDIEUHQ-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.41
Rot. Bonds2

About 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one

2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one (PubChem CID 135723893) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one
PubChem CID135723893
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one
SMILESNc1nc2nc(Cc3ccco3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C10H9N5O2/c11-10-14-8-7(9(16)15-10)12-6(13-8)4-5-2-1-3-17-5/h1-3H,4H2,(H4,11,12,13,14,15,16)
InChIKeyQWMAETSCDIEUHQ-UHFFFAOYSA-N
XLogP0.41
TPSA113.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one (CID 135723893) is 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one is Nc1nc2nc(Cc3ccco3)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one?
The InChIKey is QWMAETSCDIEUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c11-10-14-8-7(9(16)15-10)12-6(13-8)4-5-2-1-3-17-5/h1-3H,4H2,(H4,11,12,13,14,15,16).
What are the key properties of 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one?
2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one has a molecular weight of 231.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(furan-2-ylmethyl)-1,7-dihydropurin-6-one is sourced from PubChem (CID 135723893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).