7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione

C14H19N7O3 — CID 14748457

IUPAC7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione
SMILESCCN(CC)Cc1nc(Cn2cnc3c2c(=O)[nH]c(=O)n3C)no1
InChIInChI=1S/C14H19N7O3/c1-4-20(5-2)7-10-16-9(18-24-10)6-21-8-15-12-11(21)13(22)17-14(23)19(12)3/h8H,4-7H2,1-3H3,(H,17,22,23)
InChIKeyKUHPODYNXTVCCQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.30
Rot. Bonds6

About 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione

7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione (PubChem CID 14748457) has the molecular formula C14H19N7O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione
PubChem CID14748457
Molecular FormulaC14H19N7O3
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC Name7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione
SMILESCCN(CC)Cc1nc(Cn2cnc3c2c(=O)[nH]c(=O)n3C)no1
InChIInChI=1S/C14H19N7O3/c1-4-20(5-2)7-10-16-9(18-24-10)6-21-8-15-12-11(21)13(22)17-14(23)19(12)3/h8H,4-7H2,1-3H3,(H,17,22,23)
InChIKeyKUHPODYNXTVCCQ-UHFFFAOYSA-N
XLogP-0.30
TPSA114.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione?
The IUPAC name of 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione (CID 14748457) is 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione.
What is the SMILES notation for 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione?
The canonical SMILES for 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione is CCN(CC)Cc1nc(Cn2cnc3c2c(=O)[nH]c(=O)n3C)no1.
What is the InChIKey of 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione?
The InChIKey is KUHPODYNXTVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O3/c1-4-20(5-2)7-10-16-9(18-24-10)6-21-8-15-12-11(21)13(22)17-14(23)19(12)3/h8H,4-7H2,1-3H3,(H,17,22,23).
What are the key properties of 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione?
7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione has a molecular weight of 333.35 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione is sourced from PubChem (CID 14748457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).