2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid

C20H15N3O3 — CID 848641

IUPAC2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)
InChIKeyVXTCEUDVOCLEJG-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.05
Rot. Bonds5

About 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid

2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 848641) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID848641
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)
InChIKeyVXTCEUDVOCLEJG-UHFFFAOYSA-N
XLogP4.05
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid (CID 848641) is 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid is O=C(O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is VXTCEUDVOCLEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23).
What are the key properties of 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid?
2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 848641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).