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

C14H14ClN5O2 — CID 126651310

IUPAC2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine
SMILESClc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C14H14ClN5O2/c15-14-18-12(16-7-9-3-1-5-21-9)11-13(19-14)20(8-17-11)10-4-2-6-22-10/h1,3,5,8,10H,2,4,6-7H2,(H,16,18,19)
InChIKeyGQOFDXZJYSJGBH-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.99
Rot. Bonds4

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

2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine (PubChem CID 126651310) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine
PubChem CID126651310
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine
SMILESClc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C14H14ClN5O2/c15-14-18-12(16-7-9-3-1-5-21-9)11-13(19-14)20(8-17-11)10-4-2-6-22-10/h1,3,5,8,10H,2,4,6-7H2,(H,16,18,19)
InChIKeyGQOFDXZJYSJGBH-UHFFFAOYSA-N
XLogP2.99
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine (CID 126651310) is 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine is Clc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine?
The InChIKey is GQOFDXZJYSJGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c15-14-18-12(16-7-9-3-1-5-21-9)11-13(19-14)20(8-17-11)10-4-2-6-22-10/h1,3,5,8,10H,2,4,6-7H2,(H,16,18,19).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine?
2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine has a molecular weight of 319.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 126651310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).