8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine

C20H21N5O2 — CID 143922929

IUPAC8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine
SMILESCOc1cccc2ccc(O)cc12.c1nc(N2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H10O2.C9H11N5/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11;1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h2-7,12H,1H3;5-6H,1-4H2,(H,10,11,12,13)
InChIKeyOSBRFGDMFDHQIH-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.51
Rot. Bonds2

About 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine

8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine (PubChem CID 143922929) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine.

Molecular Properties

Compound Name8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine
PubChem CID143922929
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine
SMILESCOc1cccc2ccc(O)cc12.c1nc(N2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H10O2.C9H11N5/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11;1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h2-7,12H,1H3;5-6H,1-4H2,(H,10,11,12,13)
InChIKeyOSBRFGDMFDHQIH-UHFFFAOYSA-N
XLogP3.51
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine?
The IUPAC name of 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine (CID 143922929) is 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine.
What is the SMILES notation for 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine?
The canonical SMILES for 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine is COc1cccc2ccc(O)cc12.c1nc(N2CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine?
The InChIKey is OSBRFGDMFDHQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2.C9H11N5/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11;1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h2-7,12H,1H3;5-6H,1-4H2,(H,10,11,12,13).
What are the key properties of 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine?
8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine has a molecular weight of 363.42 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxynaphthalen-2-ol;6-pyrrolidin-1-yl-7H-purine is sourced from PubChem (CID 143922929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).