2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine

C17H21N7 — CID 167970704

IUPAC2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine
SMILESCC(c1ccccc1)N1CCN(c2nc(N)c3[nH]cnc3n2)CC1
InChIInChI=1S/C17H21N7/c1-12(13-5-3-2-4-6-13)23-7-9-24(10-8-23)17-21-15(18)14-16(22-17)20-11-19-14/h2-6,11-12H,7-10H2,1H3,(H3,18,19,20,21,22)
InChIKeyPRAMZIRHZWRESR-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.82
Rot. Bonds3

About 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine

2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine (PubChem CID 167970704) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine
PubChem CID167970704
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine
SMILESCC(c1ccccc1)N1CCN(c2nc(N)c3[nH]cnc3n2)CC1
InChIInChI=1S/C17H21N7/c1-12(13-5-3-2-4-6-13)23-7-9-24(10-8-23)17-21-15(18)14-16(22-17)20-11-19-14/h2-6,11-12H,7-10H2,1H3,(H3,18,19,20,21,22)
InChIKeyPRAMZIRHZWRESR-UHFFFAOYSA-N
XLogP1.82
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine?
The IUPAC name of 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine (CID 167970704) is 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine.
What is the SMILES notation for 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine?
The canonical SMILES for 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine is CC(c1ccccc1)N1CCN(c2nc(N)c3[nH]cnc3n2)CC1.
What is the InChIKey of 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine?
The InChIKey is PRAMZIRHZWRESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-12(13-5-3-2-4-6-13)23-7-9-24(10-8-23)17-21-15(18)14-16(22-17)20-11-19-14/h2-6,11-12H,7-10H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine?
2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine is sourced from PubChem (CID 167970704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).