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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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117079664
2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
CID 167752337
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
2-phenylsulfanyl-7H-purin-6-amine
CID 69289751
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol
CID 117080644
2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
CID 126666255
2-benzyl-7H-purin-6-amine
CID 15986830
2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one
CID 67067452
2-propan-2-ylsulfanyl-7H-purin-6-amine
CID 23562726
4-[6-chloro-7-[4-(1-phenylethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
CID 46868648

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).