6-(4-methylpiperazin-1-yl)-7H-purine

C10H14N6 — CID 756701

IUPAC6-(4-methylpiperazin-1-yl)-7H-purine
SMILESCN1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)
InChIKeyAXPCNBLIEMWMMG-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.10
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-7H-purine

6-(4-methylpiperazin-1-yl)-7H-purine (PubChem CID 756701) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-7H-purine
PubChem CID756701
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-(4-methylpiperazin-1-yl)-7H-purine
SMILESCN1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)
InChIKeyAXPCNBLIEMWMMG-UHFFFAOYSA-N
XLogP0.10
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-7H-purine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-7H-purine (CID 756701) is 6-(4-methylpiperazin-1-yl)-7H-purine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-7H-purine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-7H-purine is CN1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-7H-purine?
The InChIKey is AXPCNBLIEMWMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14).
What are the key properties of 6-(4-methylpiperazin-1-yl)-7H-purine?
6-(4-methylpiperazin-1-yl)-7H-purine has a molecular weight of 218.26 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-7H-purine is sourced from PubChem (CID 756701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).