2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide

C20H20N6O2 — CID 44601522

IUPAC2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc3c(NCc4ccccc4)ncnc32)o1
InChIInChI=1S/C20H20N6O2/c1-14-7-8-16(28-14)10-21-17(27)11-26-13-25-18-19(23-12-24-20(18)26)22-9-15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3,(H,21,27)(H,22,23,24)
InChIKeyZUWIAPFULTZRPK-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.66
Rot. Bonds7

About 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 44601522) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID44601522
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc3c(NCc4ccccc4)ncnc32)o1
InChIInChI=1S/C20H20N6O2/c1-14-7-8-16(28-14)10-21-17(27)11-26-13-25-18-19(23-12-24-20(18)26)22-9-15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3,(H,21,27)(H,22,23,24)
InChIKeyZUWIAPFULTZRPK-UHFFFAOYSA-N
XLogP2.66
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 44601522) is 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2cnc3c(NCc4ccccc4)ncnc32)o1.
What is the InChIKey of 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is ZUWIAPFULTZRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-14-7-8-16(28-14)10-21-17(27)11-26-13-25-18-19(23-12-24-20(18)26)22-9-15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3,(H,21,27)(H,22,23,24).
What are the key properties of 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 44601522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).