4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine

C22H21N5O2 — CID 165390824

IUPAC4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine
SMILESc1ccc(COc2ccc(-c3nc4ncnc(N5CCOCC5)c4[nH]3)cc2)cc1
InChIInChI=1S/C22H21N5O2/c1-2-4-16(5-3-1)14-29-18-8-6-17(7-9-18)20-25-19-21(26-20)23-15-24-22(19)27-10-12-28-13-11-27/h1-9,15H,10-14H2,(H,23,24,25,26)
InChIKeyFMXPOTMHFZSDTP-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.44
Rot. Bonds5

About 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine

4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine (PubChem CID 165390824) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine
PubChem CID165390824
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine
SMILESc1ccc(COc2ccc(-c3nc4ncnc(N5CCOCC5)c4[nH]3)cc2)cc1
InChIInChI=1S/C22H21N5O2/c1-2-4-16(5-3-1)14-29-18-8-6-17(7-9-18)20-25-19-21(26-20)23-15-24-22(19)27-10-12-28-13-11-27/h1-9,15H,10-14H2,(H,23,24,25,26)
InChIKeyFMXPOTMHFZSDTP-UHFFFAOYSA-N
XLogP3.44
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine?
The IUPAC name of 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine (CID 165390824) is 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine.
What is the SMILES notation for 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine?
The canonical SMILES for 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine is c1ccc(COc2ccc(-c3nc4ncnc(N5CCOCC5)c4[nH]3)cc2)cc1.
What is the InChIKey of 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine?
The InChIKey is FMXPOTMHFZSDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-4-16(5-3-1)14-29-18-8-6-17(7-9-18)20-25-19-21(26-20)23-15-24-22(19)27-10-12-28-13-11-27/h1-9,15H,10-14H2,(H,23,24,25,26).
What are the key properties of 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine?
4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine has a molecular weight of 387.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-phenylmethoxyphenyl)-7H-purin-6-yl]morpholine is sourced from PubChem (CID 165390824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).