9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine

C20H19N5 — CID 15693953

IUPAC9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
SMILESC[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2-c1ccccc1
InChIInChI=1S/C20H19N5/c1-15(12-16-8-4-2-5-9-16)24-19-18-20(22-13-21-19)25(14-23-18)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,22,24)/t15-/m1/s1
InChIKeyABFZGWAEODYBRA-OAHLLOKOSA-N
MW329.41 g/mol
LogP3.86
Rot. Bonds5

About 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine

9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine (PubChem CID 15693953) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
PubChem CID15693953
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
SMILESC[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2-c1ccccc1
InChIInChI=1S/C20H19N5/c1-15(12-16-8-4-2-5-9-16)24-19-18-20(22-13-21-19)25(14-23-18)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,22,24)/t15-/m1/s1
InChIKeyABFZGWAEODYBRA-OAHLLOKOSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine?
The IUPAC name of 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine (CID 15693953) is 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine.
What is the SMILES notation for 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine?
The canonical SMILES for 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine is C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2-c1ccccc1.
What is the InChIKey of 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine?
The InChIKey is ABFZGWAEODYBRA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N5/c1-15(12-16-8-4-2-5-9-16)24-19-18-20(22-13-21-19)25(14-23-18)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,22,24)/t15-/m1/s1.
What are the key properties of 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine?
9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine has a molecular weight of 329.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine is sourced from PubChem (CID 15693953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).