7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione

C14H17N5O3 — CID 663774

IUPAC7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione
SMILESCCn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H17N5O3/c1-4-19-10-11(17(2)14(21)18(3)12(10)20)16-13(19)15-8-9-6-5-7-22-9/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyQIQPCOBUDBUAMW-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.66
Rot. Bonds4

About 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione

7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione (PubChem CID 663774) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione
PubChem CID663774
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione
SMILESCCn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H17N5O3/c1-4-19-10-11(17(2)14(21)18(3)12(10)20)16-13(19)15-8-9-6-5-7-22-9/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyQIQPCOBUDBUAMW-UHFFFAOYSA-N
XLogP0.66
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione (CID 663774) is 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione is CCn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione?
The InChIKey is QIQPCOBUDBUAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-4-19-10-11(17(2)14(21)18(3)12(10)20)16-13(19)15-8-9-6-5-7-22-9/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione?
7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione has a molecular weight of 303.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 663774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).