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

C25H22N4O2 — CID 1076022

IUPAC2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCO
InChIInChI=1S/C25H22N4O2/c26-24-22-21(18-8-3-1-4-9-18)23(19-10-5-2-6-11-19)29(16-20-12-7-15-31-20)25(22)27-17-28(24)13-14-30/h1-12,15,17,26,30H,13-14,16H2/b26-24-
InChIKeyPKRPXTLXFULTEH-LCUIJRPUSA-N
MW410.48 g/mol
LogP4.28
Rot. Bonds6

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

2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol (PubChem CID 1076022) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol
PubChem CID1076022
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCO
InChIInChI=1S/C25H22N4O2/c26-24-22-21(18-8-3-1-4-9-18)23(19-10-5-2-6-11-19)29(16-20-12-7-15-31-20)25(22)27-17-28(24)13-14-30/h1-12,15,17,26,30H,13-14,16H2/b26-24-
InChIKeyPKRPXTLXFULTEH-LCUIJRPUSA-N
XLogP4.28
TPSA79.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.28
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)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol?
The IUPAC name of 2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol (CID 1076022) is 2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol.
What is the SMILES notation for 2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol?
The canonical SMILES for 2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol is [H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCO.
What is the InChIKey of 2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol?
The InChIKey is PKRPXTLXFULTEH-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-24-22-21(18-8-3-1-4-9-18)23(19-10-5-2-6-11-19)29(16-20-12-7-15-31-20)25(22)27-17-28(24)13-14-30/h1-12,15,17,26,30H,13-14,16H2/b26-24-.
What are the key properties of 2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol?
2-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol has a molecular weight of 410.48 g/mol, XLogP of 4.28, 6 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)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 1076022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).