[(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol

C27H32N6O2 — CID 46942915

IUPAC[(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol
SMILESCCN(CC)c1ncnc2c1ncn2[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](CO)O1
InChIInChI=1S/C27H32N6O2/c1-3-32(4-2)26-25-27(29-18-28-26)33(19-30-25)24-16-31(15-23(17-34)35-24)14-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,18-19,23-24,34H,3-4,14-17H2,1-2H3/t23-,24+/m0/s1
InChIKeySCONQZRDQJBZDG-BJKOFHAPSA-N
MW472.59 g/mol
LogP3.73
Rot. Bonds8

About [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol

[(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol (PubChem CID 46942915) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol
PubChem CID46942915
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name[(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol
SMILESCCN(CC)c1ncnc2c1ncn2[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](CO)O1
InChIInChI=1S/C27H32N6O2/c1-3-32(4-2)26-25-27(29-18-28-26)33(19-30-25)24-16-31(15-23(17-34)35-24)14-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,18-19,23-24,34H,3-4,14-17H2,1-2H3/t23-,24+/m0/s1
InChIKeySCONQZRDQJBZDG-BJKOFHAPSA-N
XLogP3.73
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol (CID 46942915) is [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol is CCN(CC)c1ncnc2c1ncn2[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](CO)O1.
What is the InChIKey of [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol?
The InChIKey is SCONQZRDQJBZDG-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-3-32(4-2)26-25-27(29-18-28-26)33(19-30-25)24-16-31(15-23(17-34)35-24)14-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,18-19,23-24,34H,3-4,14-17H2,1-2H3/t23-,24+/m0/s1.
What are the key properties of [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol?
[(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol has a molecular weight of 472.59 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-6-[6-(diethylamino)purin-9-yl]-4-[(4-phenylphenyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 46942915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).