8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol

C20H19N5O2 — CID 67446443

IUPAC8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol
SMILESOc1ccc2cccc(OCC3CCCN3c3ncnc4nc[nH]c34)c2c1
InChIInChI=1S/C20H19N5O2/c26-15-7-6-13-3-1-5-17(16(13)9-15)27-10-14-4-2-8-25(14)20-18-19(22-11-21-18)23-12-24-20/h1,3,5-7,9,11-12,14,26H,2,4,8,10H2,(H,21,22,23,24)
InChIKeyTWSMAIXNXOBLLM-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.26
Rot. Bonds4

About 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol

8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol (PubChem CID 67446443) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol.

Molecular Properties

Compound Name8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol
PubChem CID67446443
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol
SMILESOc1ccc2cccc(OCC3CCCN3c3ncnc4nc[nH]c34)c2c1
InChIInChI=1S/C20H19N5O2/c26-15-7-6-13-3-1-5-17(16(13)9-15)27-10-14-4-2-8-25(14)20-18-19(22-11-21-18)23-12-24-20/h1,3,5-7,9,11-12,14,26H,2,4,8,10H2,(H,21,22,23,24)
InChIKeyTWSMAIXNXOBLLM-UHFFFAOYSA-N
XLogP3.26
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
CID 67446424
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-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline
CID 44553051
N-ethyl-4-[8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]piperazine-1-carboxamide
CID 67447374
6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 118084731
6-[(2S)-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 68708911
4-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline
CID 67446413
8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine
CID 143922929
2-[[4-[8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]piperazine-1-carbonyl]amino]butanoic acid
CID 67448234
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

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol?
The IUPAC name of 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol (CID 67446443) is 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol.
What is the SMILES notation for 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol?
The canonical SMILES for 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol is Oc1ccc2cccc(OCC3CCCN3c3ncnc4nc[nH]c34)c2c1.
What is the InChIKey of 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol?
The InChIKey is TWSMAIXNXOBLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-15-7-6-13-3-1-5-17(16(13)9-15)27-10-14-4-2-8-25(14)20-18-19(22-11-21-18)23-12-24-20/h1,3,5-7,9,11-12,14,26H,2,4,8,10H2,(H,21,22,23,24).
What are the key properties of 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol?
8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol has a molecular weight of 361.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol is sourced from PubChem (CID 67446443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).