2-methoxy-9-methyl-6-piperazin-1-ylpurine

C11H16N6O — CID 15016753

IUPAC2-methoxy-9-methyl-6-piperazin-1-ylpurine
SMILESCOc1nc(N2CCNCC2)c2ncn(C)c2n1
InChIInChI=1S/C11H16N6O/c1-16-7-13-8-9(16)14-11(18-2)15-10(8)17-5-3-12-4-6-17/h7,12H,3-6H2,1-2H3
InChIKeyVOOFEDCWKZGOLQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.22
Rot. Bonds2

About 2-methoxy-9-methyl-6-piperazin-1-ylpurine

2-methoxy-9-methyl-6-piperazin-1-ylpurine (PubChem CID 15016753) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methoxy-9-methyl-6-piperazin-1-ylpurine.

Molecular Properties

Compound Name2-methoxy-9-methyl-6-piperazin-1-ylpurine
PubChem CID15016753
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-methoxy-9-methyl-6-piperazin-1-ylpurine
SMILESCOc1nc(N2CCNCC2)c2ncn(C)c2n1
InChIInChI=1S/C11H16N6O/c1-16-7-13-8-9(16)14-11(18-2)15-10(8)17-5-3-12-4-6-17/h7,12H,3-6H2,1-2H3
InChIKeyVOOFEDCWKZGOLQ-UHFFFAOYSA-N
XLogP-0.22
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-9-methyl-6-piperazin-1-ylpurine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
CID 70047208
2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine
CID 19969690
2-methoxy-6-piperazin-1-yl-9-prop-2-enylpurine;dihydrochloride
CID 19969749
9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
CID 15016744
9-(2,2-difluoropropyl)-2-methoxy-6-piperazin-1-ylpurine;dihydrochloride
CID 19992210
(Z)-but-2-enedioic acid;2-methoxy-9-(methylsulfanylmethyl)-6-piperazin-1-ylpurine
CID 70047049
3-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 84683018
9-(2-methoxyethyl)-6-piperazin-1-ylpurine
CID 155941203
8-methoxy-9-methyl-6-piperazin-1-ylpurine
CID 15016725
2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101794
N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine
CID 15016760
7-bromo-6-chloro-8-fluoro-2-methoxy-4-piperazin-1-ylquinazoline
CID 165123929

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-methyl-6-piperazin-1-ylpurine?
The IUPAC name of 2-methoxy-9-methyl-6-piperazin-1-ylpurine (CID 15016753) is 2-methoxy-9-methyl-6-piperazin-1-ylpurine.
What is the SMILES notation for 2-methoxy-9-methyl-6-piperazin-1-ylpurine?
The canonical SMILES for 2-methoxy-9-methyl-6-piperazin-1-ylpurine is COc1nc(N2CCNCC2)c2ncn(C)c2n1.
What is the InChIKey of 2-methoxy-9-methyl-6-piperazin-1-ylpurine?
The InChIKey is VOOFEDCWKZGOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-16-7-13-8-9(16)14-11(18-2)15-10(8)17-5-3-12-4-6-17/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-9-methyl-6-piperazin-1-ylpurine?
2-methoxy-9-methyl-6-piperazin-1-ylpurine has a molecular weight of 248.29 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-methyl-6-piperazin-1-ylpurine is sourced from PubChem (CID 15016753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).