6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine

C24H27N7O — CID 45281103

IUPAC6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine
SMILESc1ccc(COc2ncnc3c2ncn3CCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C24H27N7O/c1-2-7-20(8-3-1)17-32-24-22-23(26-18-27-24)31(19-28-22)12-6-11-29-13-15-30(16-14-29)21-9-4-5-10-25-21/h1-5,7-10,18-19H,6,11-17H2
InChIKeyHZIANPGDCXSQNV-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.01
Rot. Bonds8

About 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine

6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine (PubChem CID 45281103) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine.

Molecular Properties

Compound Name6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine
PubChem CID45281103
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine
SMILESc1ccc(COc2ncnc3c2ncn3CCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C24H27N7O/c1-2-7-20(8-3-1)17-32-24-22-23(26-18-27-24)31(19-28-22)12-6-11-29-13-15-30(16-14-29)21-9-4-5-10-25-21/h1-5,7-10,18-19H,6,11-17H2
InChIKeyHZIANPGDCXSQNV-UHFFFAOYSA-N
XLogP3.01
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine?
The IUPAC name of 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine (CID 45281103) is 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine.
What is the SMILES notation for 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine?
The canonical SMILES for 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine is c1ccc(COc2ncnc3c2ncn3CCCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine?
The InChIKey is HZIANPGDCXSQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-2-7-20(8-3-1)17-32-24-22-23(26-18-27-24)31(19-28-22)12-6-11-29-13-15-30(16-14-29)21-9-4-5-10-25-21/h1-5,7-10,18-19H,6,11-17H2.
What are the key properties of 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine?
6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine has a molecular weight of 429.53 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine is sourced from PubChem (CID 45281103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).