2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

C25H22N4O2 — CID 661878

IUPAC2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1
InChIInChI=1S/C25H22N4O2/c30-14-13-26-24-22-21(18-8-3-1-4-9-18)23(19-10-5-2-6-11-19)29(25(22)28-17-27-24)16-20-12-7-15-31-20/h1-12,15,17,30H,13-14,16H2,(H,26,27,28)
InChIKeyHJUQKIQEFGKYJC-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.81
Rot. Bonds7

About 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 661878) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID661878
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1
InChIInChI=1S/C25H22N4O2/c30-14-13-26-24-22-21(18-8-3-1-4-9-18)23(19-10-5-2-6-11-19)29(25(22)28-17-27-24)16-20-12-7-15-31-20/h1-12,15,17,30H,13-14,16H2,(H,26,27,28)
InChIKeyHJUQKIQEFGKYJC-UHFFFAOYSA-N
XLogP4.81
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (CID 661878) is 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is OCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1.
What is the InChIKey of 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is HJUQKIQEFGKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-14-13-26-24-22-21(18-8-3-1-4-9-18)23(19-10-5-2-6-11-19)29(25(22)28-17-27-24)16-20-12-7-15-31-20/h1-12,15,17,30H,13-14,16H2,(H,26,27,28).
What are the key properties of 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 410.48 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 661878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).