9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine

C14H20N6O — CID 155941202

IUPAC9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine
SMILESc1nc(N2CCNCC2)c2ncn(CC3CCCO3)c2n1
InChIInChI=1S/C14H20N6O/c1-2-11(21-7-1)8-20-10-18-12-13(16-9-17-14(12)20)19-5-3-15-4-6-19/h9-11,15H,1-8H2
InChIKeyFRCNPTAOPYCMTF-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.41
Rot. Bonds3

About 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine

9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine (PubChem CID 155941202) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine.

Molecular Properties

Compound Name9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine
PubChem CID155941202
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine
SMILESc1nc(N2CCNCC2)c2ncn(CC3CCCO3)c2n1
InChIInChI=1S/C14H20N6O/c1-2-11(21-7-1)8-20-10-18-12-13(16-9-17-14(12)20)19-5-3-15-4-6-19/h9-11,15H,1-8H2
InChIKeyFRCNPTAOPYCMTF-UHFFFAOYSA-N
XLogP0.41
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 155799077
6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 163344811
4-tert-butyl-2-[[4-[9-(oxolan-2-ylmethyl)purin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 171334767
6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 163345104
9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
CID 10634902
N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799203
9-(2-methoxyethyl)-6-piperazin-1-ylpurine
CID 155941203
N-(2-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799202
N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine
CID 163354368
9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine
CID 10399466
N-(4-chloro-3-fluorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799237
9-(oxiran-2-ylmethyl)-6-(1,2,4-triazol-1-yl)purine
CID 10105826

Frequently Asked Questions

What is the IUPAC name of 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine?
The IUPAC name of 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine (CID 155941202) is 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine.
What is the SMILES notation for 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine?
The canonical SMILES for 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine is c1nc(N2CCNCC2)c2ncn(CC3CCCO3)c2n1.
What is the InChIKey of 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine?
The InChIKey is FRCNPTAOPYCMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-11(21-7-1)8-20-10-18-12-13(16-9-17-14(12)20)19-5-3-15-4-6-19/h9-11,15H,1-8H2.
What are the key properties of 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine?
9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine has a molecular weight of 288.35 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine is sourced from PubChem (CID 155941202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).