2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol

C28H26N4O — CID 50985820

IUPAC2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(CCc3ccccc3)c2ncn1CCO
InChIInChI=1S/C28H26N4O/c29-27-25-24(22-12-6-2-7-13-22)26(23-14-8-3-9-15-23)32(17-16-21-10-4-1-5-11-21)28(25)30-20-31(27)18-19-33/h1-15,20,29,33H,16-19H2/b29-27-
InChIKeyIXBMRQRRINDYED-OHYPFYFLSA-N
MW434.54 g/mol
LogP4.89
Rot. Bonds7

About 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol

2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol (PubChem CID 50985820) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol
PubChem CID50985820
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(CCc3ccccc3)c2ncn1CCO
InChIInChI=1S/C28H26N4O/c29-27-25-24(22-12-6-2-7-13-22)26(23-14-8-3-9-15-23)32(17-16-21-10-4-1-5-11-21)28(25)30-20-31(27)18-19-33/h1-15,20,29,33H,16-19H2/b29-27-
InChIKeyIXBMRQRRINDYED-OHYPFYFLSA-N
XLogP4.89
TPSA66.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol?
The IUPAC name of 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol (CID 50985820) is 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol.
What is the SMILES notation for 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol?
The canonical SMILES for 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol is [H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(CCc3ccccc3)c2ncn1CCO.
What is the InChIKey of 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol?
The InChIKey is IXBMRQRRINDYED-OHYPFYFLSA-N. The full InChI is InChI=1S/C28H26N4O/c29-27-25-24(22-12-6-2-7-13-22)26(23-14-8-3-9-15-23)32(17-16-21-10-4-1-5-11-21)28(25)30-20-31(27)18-19-33/h1-15,20,29,33H,16-19H2/b29-27-.
What are the key properties of 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol?
2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol has a molecular weight of 434.54 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-imino-5,6-diphenyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 50985820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).