8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione

C20H26N6O5 — CID 4104193

IUPAC8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
SMILESCOCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H26N6O5/c1-22-17-16(19(28)23(2)20(22)29)26(10-12-30-3)15(21-17)13-24-6-8-25(9-7-24)18(27)14-5-4-11-31-14/h4-5,11H,6-10,12-13H2,1-3H3
InChIKeyMOVYNVOHPZAULW-UHFFFAOYSA-N
MW430.47 g/mol
LogP-0.37
Rot. Bonds6

About 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione

8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione (PubChem CID 4104193) has the molecular formula C20H26N6O5 and a molecular weight of 430.47 g/mol. Its IUPAC name is 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
PubChem CID4104193
Molecular FormulaC20H26N6O5
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
SMILESCOCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H26N6O5/c1-22-17-16(19(28)23(2)20(22)29)26(10-12-30-3)15(21-17)13-24-6-8-25(9-7-24)18(27)14-5-4-11-31-14/h4-5,11H,6-10,12-13H2,1-3H3
InChIKeyMOVYNVOHPZAULW-UHFFFAOYSA-N
XLogP-0.37
TPSA107.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione (CID 4104193) is 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione is COCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione?
The InChIKey is MOVYNVOHPZAULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O5/c1-22-17-16(19(28)23(2)20(22)29)26(10-12-30-3)15(21-17)13-24-6-8-25(9-7-24)18(27)14-5-4-11-31-14/h4-5,11H,6-10,12-13H2,1-3H3.
What are the key properties of 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione?
8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione has a molecular weight of 430.47 g/mol, XLogP of -0.37, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 4104193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).