(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol

C20H18N4O — CID 44565856

IUPAC(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
SMILESNc1ncnc2c1c(-c1ccccc1)cn2[C@@H](CO)c1ccccc1
InChIInChI=1S/C20H18N4O/c21-19-18-16(14-7-3-1-4-8-14)11-24(20(18)23-13-22-19)17(12-25)15-9-5-2-6-10-15/h1-11,13,17,25H,12H2,(H2,21,22,23)/t17-/m0/s1
InChIKeyVWFOFGYBQLNHQS-KRWDZBQOSA-N
MW330.39 g/mol
LogP3.26
Rot. Bonds4

About (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol

(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol (PubChem CID 44565856) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
PubChem CID44565856
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
SMILESNc1ncnc2c1c(-c1ccccc1)cn2[C@@H](CO)c1ccccc1
InChIInChI=1S/C20H18N4O/c21-19-18-16(14-7-3-1-4-8-14)11-24(20(18)23-13-22-19)17(12-25)15-9-5-2-6-10-15/h1-11,13,17,25H,12H2,(H2,21,22,23)/t17-/m0/s1
InChIKeyVWFOFGYBQLNHQS-KRWDZBQOSA-N
XLogP3.26
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol?
The IUPAC name of (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol (CID 44565856) is (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol?
The canonical SMILES for (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol is Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol?
The InChIKey is VWFOFGYBQLNHQS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N4O/c21-19-18-16(14-7-3-1-4-8-14)11-24(20(18)23-13-22-19)17(12-25)15-9-5-2-6-10-15/h1-11,13,17,25H,12H2,(H2,21,22,23)/t17-/m0/s1.
What are the key properties of (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol?
(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol has a molecular weight of 330.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol is sourced from PubChem (CID 44565856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).