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

C18H23N7O — CID 46903483

IUPAC6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine
SMILESCOc1ncnc2c1ncn2CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H23N7O/c1-26-18-16-17(20-13-21-18)25(14-22-16)8-4-7-23-9-11-24(12-10-23)15-5-2-3-6-19-15/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyVOMDNDHTMYDQLY-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.44
Rot. Bonds6

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

6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine (PubChem CID 46903483) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine.

Molecular Properties

Compound Name6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine
PubChem CID46903483
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine
SMILESCOc1ncnc2c1ncn2CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H23N7O/c1-26-18-16-17(20-13-21-18)25(14-22-16)8-4-7-23-9-11-24(12-10-23)15-5-2-3-6-19-15/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyVOMDNDHTMYDQLY-UHFFFAOYSA-N
XLogP1.44
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine?
The IUPAC name of 6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine (CID 46903483) is 6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine.
What is the SMILES notation for 6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine?
The canonical SMILES for 6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine is COc1ncnc2c1ncn2CCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine?
The InChIKey is VOMDNDHTMYDQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-26-18-16-17(20-13-21-18)25(14-22-16)8-4-7-23-9-11-24(12-10-23)15-5-2-3-6-19-15/h2-3,5-6,13-14H,4,7-12H2,1H3.
What are the key properties of 6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine?
6-methoxy-9-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]purine has a molecular weight of 353.43 g/mol, XLogP of 1.44, 6 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-pyridin-2-ylpiperazin-1-yl)propyl]purine is sourced from PubChem (CID 46903483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).