2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol

C20H18N4O2 — CID 19597460

IUPAC2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CCO
InChIInChI=1S/C20H18N4O2/c21-19-18-17(12-24(10-11-25)20(18)23-13-22-19)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13,25H,10-11H2,(H2,21,22,23)
InChIKeyAFGOFEFLRMONQO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.47
Rot. Bonds5

About 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol

2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol (PubChem CID 19597460) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol
PubChem CID19597460
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CCO
InChIInChI=1S/C20H18N4O2/c21-19-18-17(12-24(10-11-25)20(18)23-13-22-19)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13,25H,10-11H2,(H2,21,22,23)
InChIKeyAFGOFEFLRMONQO-UHFFFAOYSA-N
XLogP3.47
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The IUPAC name of 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol (CID 19597460) is 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol.
What is the SMILES notation for 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The canonical SMILES for 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol is Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CCO.
What is the InChIKey of 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The InChIKey is AFGOFEFLRMONQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-19-18-17(12-24(10-11-25)20(18)23-13-22-19)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13,25H,10-11H2,(H2,21,22,23).
What are the key properties of 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol has a molecular weight of 346.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol is sourced from PubChem (CID 19597460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).