4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid

C15H13N3O4 — CID 20873532

IUPAC4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C15H13N3O4/c19-15(20)13-16-11-9-3-1-2-4-10(9)22-12(11)14(17-13)18-5-7-21-8-6-18/h1-4H,5-8H2,(H,19,20)
InChIKeyGIESFQQQDFBCNE-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.91
Rot. Bonds2

About 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid

4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid (PubChem CID 20873532) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid
PubChem CID20873532
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C15H13N3O4/c19-15(20)13-16-11-9-3-1-2-4-10(9)22-12(11)14(17-13)18-5-7-21-8-6-18/h1-4H,5-8H2,(H,19,20)
InChIKeyGIESFQQQDFBCNE-UHFFFAOYSA-N
XLogP1.91
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid (CID 20873532) is 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid is O=C(O)c1nc(N2CCOCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid?
The InChIKey is GIESFQQQDFBCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-15(20)13-16-11-9-3-1-2-4-10(9)22-12(11)14(17-13)18-5-7-21-8-6-18/h1-4H,5-8H2,(H,19,20).
What are the key properties of 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid?
4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 20873532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).