N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine

C18H23N7O — CID 2155093

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine
SMILESCOc1ccc(N2CCN(CCNc3ncnc4nc[nH]c34)CC2)cc1
InChIInChI=1S/C18H23N7O/c1-26-15-4-2-14(3-5-15)25-10-8-24(9-11-25)7-6-19-17-16-18(21-12-20-16)23-13-22-17/h2-5,12-13H,6-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyOBKHRLAFSCDSOS-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.60
Rot. Bonds6

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

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine (PubChem CID 2155093) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine
PubChem CID2155093
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine
SMILESCOc1ccc(N2CCN(CCNc3ncnc4nc[nH]c34)CC2)cc1
InChIInChI=1S/C18H23N7O/c1-26-15-4-2-14(3-5-15)25-10-8-24(9-11-25)7-6-19-17-16-18(21-12-20-16)23-13-22-17/h2-5,12-13H,6-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyOBKHRLAFSCDSOS-UHFFFAOYSA-N
XLogP1.60
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine
CID 133315969
6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine
CID 78901405
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 117081727
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 117083517
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232
methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine (CID 2155093) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine is COc1ccc(N2CCN(CCNc3ncnc4nc[nH]c34)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine?
The InChIKey is OBKHRLAFSCDSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-26-15-4-2-14(3-5-15)25-10-8-24(9-11-25)7-6-19-17-16-18(21-12-20-16)23-13-22-17/h2-5,12-13H,6-11H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine has a molecular weight of 353.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 2155093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).