2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine

C18H25N7O2 — CID 135368029

IUPAC2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine
SMILESCN(C)CCNc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C18H25N7O2/c1-24(2)8-7-19-18-22-16(20-11-13-5-3-9-26-13)15-17(23-18)25(12-21-15)14-6-4-10-27-14/h3,5,9,12,14H,4,6-8,10-11H2,1-2H3,(H2,19,20,22,23)
InChIKeyZQEIXDKDKQEJNV-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.31
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine

2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine (PubChem CID 135368029) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine
PubChem CID135368029
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine
SMILESCN(C)CCNc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C18H25N7O2/c1-24(2)8-7-19-18-22-16(20-11-13-5-3-9-26-13)15-17(23-18)25(12-21-15)14-6-4-10-27-14/h3,5,9,12,14H,4,6-8,10-11H2,1-2H3,(H2,19,20,22,23)
InChIKeyZQEIXDKDKQEJNV-UHFFFAOYSA-N
XLogP2.31
TPSA93.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine (CID 135368029) is 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine is CN(C)CCNc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The InChIKey is ZQEIXDKDKQEJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-24(2)8-7-19-18-22-16(20-11-13-5-3-9-26-13)15-17(23-18)25(12-21-15)14-6-4-10-27-14/h3,5,9,12,14H,4,6-8,10-11H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine?
2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine has a molecular weight of 371.45 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine is sourced from PubChem (CID 135368029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).