6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine

C20H26N6O2 — CID 46903593

IUPAC6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine
SMILESCOc1ccc(N2CCN(CCCn3cnc4c(OC)ncnc43)CC2)cc1
InChIInChI=1S/C20H26N6O2/c1-27-17-6-4-16(5-7-17)25-12-10-24(11-13-25)8-3-9-26-15-23-18-19(26)21-14-22-20(18)28-2/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyZMWQGIZECQWJIR-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.06
Rot. Bonds7

About 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine

6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine (PubChem CID 46903593) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine.

Molecular Properties

Compound Name6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine
PubChem CID46903593
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine
SMILESCOc1ccc(N2CCN(CCCn3cnc4c(OC)ncnc43)CC2)cc1
InChIInChI=1S/C20H26N6O2/c1-27-17-6-4-16(5-7-17)25-12-10-24(11-13-25)8-3-9-26-15-23-18-19(26)21-14-22-20(18)28-2/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyZMWQGIZECQWJIR-UHFFFAOYSA-N
XLogP2.06
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-9-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]purine
CID 46903494
6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine
CID 21493397
N-[(4-methoxyphenyl)methyl]-3-(6-methoxypurin-9-yl)-N-[3-(6-methoxypurin-9-yl)propyl]propan-1-amine
CID 46903486
6-chloro-9-[3-(4-phenylpiperazin-1-yl)propyl]purine
CID 21493411
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrimido[5,4-c]quinolin-4-one;hydrochloride
CID 56679680
6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine
CID 154829257
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine?
The IUPAC name of 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine (CID 46903593) is 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine.
What is the SMILES notation for 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine?
The canonical SMILES for 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine is COc1ccc(N2CCN(CCCn3cnc4c(OC)ncnc43)CC2)cc1.
What is the InChIKey of 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine?
The InChIKey is ZMWQGIZECQWJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-27-17-6-4-16(5-7-17)25-12-10-24(11-13-25)8-3-9-26-15-23-18-19(26)21-14-22-20(18)28-2/h4-7,14-15H,3,8-13H2,1-2H3.
What are the key properties of 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine?
6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine has a molecular weight of 382.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine is sourced from PubChem (CID 46903593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).