2-chloro-6-(furan-2-ylmethoxy)-7H-purine

C10H7ClN4O2 — CID 104786870

IUPAC2-chloro-6-(furan-2-ylmethoxy)-7H-purine
SMILESClc1nc(OCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C10H7ClN4O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h1-3,5H,4H2,(H,12,13,14,15)
InChIKeyJXDCXUXLGFQFTP-UHFFFAOYSA-N
MW250.65 g/mol
LogP2.18
Rot. Bonds3

About 2-chloro-6-(furan-2-ylmethoxy)-7H-purine

2-chloro-6-(furan-2-ylmethoxy)-7H-purine (PubChem CID 104786870) has the molecular formula C10H7ClN4O2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-chloro-6-(furan-2-ylmethoxy)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(furan-2-ylmethoxy)-7H-purine
PubChem CID104786870
Molecular FormulaC10H7ClN4O2
Molecular Weight250.65 g/mol
Exact Mass250.03
IUPAC Name2-chloro-6-(furan-2-ylmethoxy)-7H-purine
SMILESClc1nc(OCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C10H7ClN4O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h1-3,5H,4H2,(H,12,13,14,15)
InChIKeyJXDCXUXLGFQFTP-UHFFFAOYSA-N
XLogP2.18
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(furan-2-ylmethoxy)-7H-purine?
The IUPAC name of 2-chloro-6-(furan-2-ylmethoxy)-7H-purine (CID 104786870) is 2-chloro-6-(furan-2-ylmethoxy)-7H-purine.
What is the SMILES notation for 2-chloro-6-(furan-2-ylmethoxy)-7H-purine?
The canonical SMILES for 2-chloro-6-(furan-2-ylmethoxy)-7H-purine is Clc1nc(OCc2ccco2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-6-(furan-2-ylmethoxy)-7H-purine?
The InChIKey is JXDCXUXLGFQFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h1-3,5H,4H2,(H,12,13,14,15).
What are the key properties of 2-chloro-6-(furan-2-ylmethoxy)-7H-purine?
2-chloro-6-(furan-2-ylmethoxy)-7H-purine has a molecular weight of 250.65 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(furan-2-ylmethoxy)-7H-purine is sourced from PubChem (CID 104786870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).