7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one

C18H23N7O2 — CID 70859898

IUPAC7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one
SMILESCCn1c(N2CCNCC2)nc2nc(OCc3ccccn3)n(C)c(=O)c21
InChIInChI=1S/C18H23N7O2/c1-3-25-14-15(21-17(25)24-10-8-19-9-11-24)22-18(23(2)16(14)26)27-12-13-6-4-5-7-20-13/h4-7,19H,3,8-12H2,1-2H3
InChIKeyKWZRKMZVAFKODZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.53
Rot. Bonds5

About 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one

7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one (PubChem CID 70859898) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one.

Molecular Properties

Compound Name7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one
PubChem CID70859898
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one
SMILESCCn1c(N2CCNCC2)nc2nc(OCc3ccccn3)n(C)c(=O)c21
InChIInChI=1S/C18H23N7O2/c1-3-25-14-15(21-17(25)24-10-8-19-9-11-24)22-18(23(2)16(14)26)27-12-13-6-4-5-7-20-13/h4-7,19H,3,8-12H2,1-2H3
InChIKeyKWZRKMZVAFKODZ-UHFFFAOYSA-N
XLogP0.53
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one?
The IUPAC name of 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one (CID 70859898) is 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one.
What is the SMILES notation for 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one?
The canonical SMILES for 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one is CCn1c(N2CCNCC2)nc2nc(OCc3ccccn3)n(C)c(=O)c21.
What is the InChIKey of 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one?
The InChIKey is KWZRKMZVAFKODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-3-25-14-15(21-17(25)24-10-8-19-9-11-24)22-18(23(2)16(14)26)27-12-13-6-4-5-7-20-13/h4-7,19H,3,8-12H2,1-2H3.
What are the key properties of 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one?
7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one has a molecular weight of 369.43 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one is sourced from PubChem (CID 70859898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).