6-(4-methylpiperazin-1-yl)-7H-purin-2-amine

C10H15N7 — CID 46228161

IUPAC6-(4-methylpiperazin-1-yl)-7H-purin-2-amine
SMILESCN1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C10H15N7/c1-16-2-4-17(5-3-16)9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyHZZXEPZFOVOWIN-UHFFFAOYSA-N
MW233.28 g/mol
LogP-0.31
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine

6-(4-methylpiperazin-1-yl)-7H-purin-2-amine (PubChem CID 46228161) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-7H-purin-2-amine
PubChem CID46228161
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name6-(4-methylpiperazin-1-yl)-7H-purin-2-amine
SMILESCN1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C10H15N7/c1-16-2-4-17(5-3-16)9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyHZZXEPZFOVOWIN-UHFFFAOYSA-N
XLogP-0.31
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine (CID 46228161) is 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine is CN1CCN(c2nc(N)nc3nc[nH]c23)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine?
The InChIKey is HZZXEPZFOVOWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-16-2-4-17(5-3-16)9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine?
6-(4-methylpiperazin-1-yl)-7H-purin-2-amine has a molecular weight of 233.28 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 46228161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).