8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C19H15BrN2O2 — CID 135867954

IUPAC8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCC(C)c1ccccc1-c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1
InChIInChI=1S/C19H15BrN2O2/c1-10(2)12-5-3-4-6-13(12)18-21-16-14-9-11(20)7-8-15(14)24-17(16)19(23)22-18/h3-10H,1-2H3,(H,21,22,23)
InChIKeyHGIQFKFKNNUPOP-UHFFFAOYSA-N
MW383.25 g/mol
LogP5.22
Rot. Bonds2

About 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867954) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867954
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCC(C)c1ccccc1-c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1
InChIInChI=1S/C19H15BrN2O2/c1-10(2)12-5-3-4-6-13(12)18-21-16-14-9-11(20)7-8-15(14)24-17(16)19(23)22-18/h3-10H,1-2H3,(H,21,22,23)
InChIKeyHGIQFKFKNNUPOP-UHFFFAOYSA-N
XLogP5.22
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Bromo-2-(2-Chlorophenyl)[1]benzofuro[3,2-D]pyrimidin-4(3h)-One
CID 135566645
8-Bromanyl-2-[(4-Methylpiperazin-1-Yl)methyl]-3h-[1]benzofuro[3,2-D]pyrimidin-4-One
CID 135566647
8-Bromanyl-2-[[(3s)-3-Oxidanylpyrrolidin-1-Yl]methyl]-3h-[1]benzofuro[3,2-D]pyrimidin-4-One
CID 135566648
2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135420405
8-Bromo[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135461314
2-benzyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135456879
8-bromo-2-[1-(4-methylpiperazin-1-yl)ethyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867902
8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867903
8-bromo-2-(2-chloro-5-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867906
8-bromo-2-(2-chloro-6-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867912
1-[(8-Bromo-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 135867931
2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867940

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867954) is 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is CC(C)c1ccccc1-c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1.
What is the InChIKey of 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is HGIQFKFKNNUPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c1-10(2)12-5-3-4-6-13(12)18-21-16-14-9-11(20)7-8-15(14)24-17(16)19(23)22-18/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 383.25 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(2-propan-2-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).