4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

C21H19N3O2 — CID 176582791

IUPAC4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
SMILESCCCNC(=O)c1nc(Cc2ccccc2)c2oc3ccccc3c2n1
InChIInChI=1S/C21H19N3O2/c1-2-12-22-21(25)20-23-16(13-14-8-4-3-5-9-14)19-18(24-20)15-10-6-7-11-17(15)26-19/h3-11H,2,12-13H2,1H3,(H,22,25)
InChIKeyADOXINBCXIHWFS-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.11
Rot. Bonds5

About 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide (PubChem CID 176582791) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
PubChem CID176582791
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
SMILESCCCNC(=O)c1nc(Cc2ccccc2)c2oc3ccccc3c2n1
InChIInChI=1S/C21H19N3O2/c1-2-12-22-21(25)20-23-16(13-14-8-4-3-5-9-14)19-18(24-20)15-10-6-7-11-17(15)26-19/h3-11H,2,12-13H2,1H3,(H,22,25)
InChIKeyADOXINBCXIHWFS-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide (CID 176582791) is 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide is CCCNC(=O)c1nc(Cc2ccccc2)c2oc3ccccc3c2n1.
What is the InChIKey of 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The InChIKey is ADOXINBCXIHWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-12-22-21(25)20-23-16(13-14-8-4-3-5-9-14)19-18(24-20)15-10-6-7-11-17(15)26-19/h3-11H,2,12-13H2,1H3,(H,22,25).
What are the key properties of 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 176582791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).