6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine

C24H26N5O4P — CID 70395886

IUPAC6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine
SMILESCC(C1COP(OCc2ccccc2)OC1)n1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C24H26N5O4P/c1-17(20-14-32-34(33-15-20)31-13-19-10-6-3-7-11-19)29-16-26-21-22(29)27-24(25)28-23(21)30-12-18-8-4-2-5-9-18/h2-11,16-17,20H,12-15H2,1H3,(H2,25,27,28)
InChIKeyLFYIXSINYVQUSE-UHFFFAOYSA-N
MW479.48 g/mol
LogP4.66
Rot. Bonds8

About 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine

6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine (PubChem CID 70395886) has the molecular formula C24H26N5O4P and a molecular weight of 479.48 g/mol. Its IUPAC name is 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine.

Molecular Properties

Compound Name6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine
PubChem CID70395886
Molecular FormulaC24H26N5O4P
Molecular Weight479.48 g/mol
Exact Mass479.17
IUPAC Name6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine
SMILESCC(C1COP(OCc2ccccc2)OC1)n1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C24H26N5O4P/c1-17(20-14-32-34(33-15-20)31-13-19-10-6-3-7-11-19)29-16-26-21-22(29)27-24(25)28-23(21)30-12-18-8-4-2-5-9-18/h2-11,16-17,20H,12-15H2,1H3,(H2,25,27,28)
InChIKeyLFYIXSINYVQUSE-UHFFFAOYSA-N
XLogP4.66
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine?
The IUPAC name of 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine (CID 70395886) is 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine.
What is the SMILES notation for 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine?
The canonical SMILES for 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine is CC(C1COP(OCc2ccccc2)OC1)n1cnc2c(OCc3ccccc3)nc(N)nc21.
What is the InChIKey of 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine?
The InChIKey is LFYIXSINYVQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N5O4P/c1-17(20-14-32-34(33-15-20)31-13-19-10-6-3-7-11-19)29-16-26-21-22(29)27-24(25)28-23(21)30-12-18-8-4-2-5-9-18/h2-11,16-17,20H,12-15H2,1H3,(H2,25,27,28).
What are the key properties of 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine?
6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine has a molecular weight of 479.48 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine is sourced from PubChem (CID 70395886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).