6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine

C20H19N5O — CID 67446424

IUPAC6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
SMILESc1ccc2c(OCC3CCCN3c3ncnc4nc[nH]c34)cccc2c1
InChIInChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-25(15)20-18-19(22-12-21-18)23-13-24-20/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,21,22,23,24)
InChIKeyDUYDXTWDEKJZHW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.55
Rot. Bonds4

About 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine

6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine (PubChem CID 67446424) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
PubChem CID67446424
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
SMILESc1ccc2c(OCC3CCCN3c3ncnc4nc[nH]c34)cccc2c1
InChIInChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-25(15)20-18-19(22-12-21-18)23-13-24-20/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,21,22,23,24)
InChIKeyDUYDXTWDEKJZHW-UHFFFAOYSA-N
XLogP3.55
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline
CID 67446413
8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline
CID 44553051
8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol
CID 67446443
6-[(2S)-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 68708911
6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 58534769
6-[2-[(7-nitronaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 67446046
8-bromo-6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
CID 67445637
4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-8-(trifluoromethoxy)quinoline
CID 135284983
8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 67445125
6-[2-(1-naphthalen-1-yloxyethyl)pyrrolidin-1-yl]-7H-purine
CID 123696018
6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 118084731
2-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]-1,3-benzothiazole
CID 58483839

Frequently Asked Questions

What is the IUPAC name of 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine?
The IUPAC name of 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine (CID 67446424) is 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine?
The canonical SMILES for 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine is c1ccc2c(OCC3CCCN3c3ncnc4nc[nH]c34)cccc2c1.
What is the InChIKey of 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine?
The InChIKey is DUYDXTWDEKJZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-25(15)20-18-19(22-12-21-18)23-13-24-20/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,21,22,23,24).
What are the key properties of 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine?
6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine has a molecular weight of 345.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine is sourced from PubChem (CID 67446424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).