2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine

C10H8ClN5O — CID 5037694

IUPAC2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESClc1nc(NCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16)
InChIKeyQGUOPVCOXHVPJX-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.21
Rot. Bonds3

About 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine

2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine (PubChem CID 5037694) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
PubChem CID5037694
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESClc1nc(NCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16)
InChIKeyQGUOPVCOXHVPJX-UHFFFAOYSA-N
XLogP2.21
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine (CID 5037694) is 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine is Clc1nc(NCc2ccco2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is QGUOPVCOXHVPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine?
2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 249.66 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 5037694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).