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

C11H16N6O — CID 15016725

IUPAC8-methoxy-9-methyl-6-piperazin-1-ylpurine
SMILESCOc1nc2c(N3CCNCC3)ncnc2n1C
InChIInChI=1S/C11H16N6O/c1-16-9-8(15-11(16)18-2)10(14-7-13-9)17-5-3-12-4-6-17/h7,12H,3-6H2,1-2H3
InChIKeyBTHVYHIBNGFREN-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.22
Rot. Bonds2

About 8-methoxy-9-methyl-6-piperazin-1-ylpurine

8-methoxy-9-methyl-6-piperazin-1-ylpurine (PubChem CID 15016725) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 8-methoxy-9-methyl-6-piperazin-1-ylpurine.

Molecular Properties

Compound Name8-methoxy-9-methyl-6-piperazin-1-ylpurine
PubChem CID15016725
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name8-methoxy-9-methyl-6-piperazin-1-ylpurine
SMILESCOc1nc2c(N3CCNCC3)ncnc2n1C
InChIInChI=1S/C11H16N6O/c1-16-9-8(15-11(16)18-2)10(14-7-13-9)17-5-3-12-4-6-17/h7,12H,3-6H2,1-2H3
InChIKeyBTHVYHIBNGFREN-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

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Related Compounds

9-(2-methoxyethyl)-6-piperazin-1-ylpurine
CID 155941203
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
2-methoxy-9-methyl-6-piperazin-1-ylpurine
CID 15016753
4-(9-benzyl-8-methoxypurin-6-yl)morpholine
CID 11508112
4-methyl-6-piperazin-1-ylpyrimidin-5-amine
CID 163648799
7-but-2-ynyl-9-methyl-6-piperazin-1-ylpurin-8-one
CID 23085308
8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride
CID 19969708
4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 87437222
2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
CID 70047208
1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine
CID 176811584
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-methyl-6-piperazin-1-ylpurine?
The IUPAC name of 8-methoxy-9-methyl-6-piperazin-1-ylpurine (CID 15016725) is 8-methoxy-9-methyl-6-piperazin-1-ylpurine.
What is the SMILES notation for 8-methoxy-9-methyl-6-piperazin-1-ylpurine?
The canonical SMILES for 8-methoxy-9-methyl-6-piperazin-1-ylpurine is COc1nc2c(N3CCNCC3)ncnc2n1C.
What is the InChIKey of 8-methoxy-9-methyl-6-piperazin-1-ylpurine?
The InChIKey is BTHVYHIBNGFREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-16-9-8(15-11(16)18-2)10(14-7-13-9)17-5-3-12-4-6-17/h7,12H,3-6H2,1-2H3.
What are the key properties of 8-methoxy-9-methyl-6-piperazin-1-ylpurine?
8-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 8-methoxy-9-methyl-6-piperazin-1-ylpurine is sourced from PubChem (CID 15016725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).