2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate

C16H19N5O3 — CID 174477594

IUPAC2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate
SMILESCC(=O)OC(C)(C)n1cnc2c(-c3ccco3)nc(N(C)C)nc21
InChIInChI=1S/C16H19N5O3/c1-10(22)24-16(2,3)21-9-17-13-12(11-7-6-8-23-11)18-15(20(4)5)19-14(13)21/h6-9H,1-5H3
InChIKeyFCJYKUOWQQRGLL-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.41
Rot. Bonds4

About 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate

2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate (PubChem CID 174477594) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate.

Molecular Properties

Compound Name2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate
PubChem CID174477594
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate
SMILESCC(=O)OC(C)(C)n1cnc2c(-c3ccco3)nc(N(C)C)nc21
InChIInChI=1S/C16H19N5O3/c1-10(22)24-16(2,3)21-9-17-13-12(11-7-6-8-23-11)18-15(20(4)5)19-14(13)21/h6-9H,1-5H3
InChIKeyFCJYKUOWQQRGLL-UHFFFAOYSA-N
XLogP2.41
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate?
The IUPAC name of 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate (CID 174477594) is 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate.
What is the SMILES notation for 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate?
The canonical SMILES for 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate is CC(=O)OC(C)(C)n1cnc2c(-c3ccco3)nc(N(C)C)nc21.
What is the InChIKey of 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate?
The InChIKey is FCJYKUOWQQRGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10(22)24-16(2,3)21-9-17-13-12(11-7-6-8-23-11)18-15(20(4)5)19-14(13)21/h6-9H,1-5H3.
What are the key properties of 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate?
2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate has a molecular weight of 329.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate is sourced from PubChem (CID 174477594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).