8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane

C19H17BrN2O2 — CID 143831080

IUPAC8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
SMILESCC.Cc1ccccc1-c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1
InChIInChI=1S/C17H11BrN2O2.C2H6/c1-9-4-2-3-5-11(9)16-19-14-12-8-10(18)6-7-13(12)22-15(14)17(21)20-16;1-2/h2-8H,1H3,(H,19,20,21);1-2H3
InChIKeyNIRABDWBFLDTEB-UHFFFAOYSA-N
MW385.26 g/mol
LogP5.43
Rot. Bonds1

About 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane

8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane (PubChem CID 143831080) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
PubChem CID143831080
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
SMILESCC.Cc1ccccc1-c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1
InChIInChI=1S/C17H11BrN2O2.C2H6/c1-9-4-2-3-5-11(9)16-19-14-12-8-10(18)6-7-13(12)22-15(14)17(21)20-16;1-2/h2-8H,1H3,(H,19,20,21);1-2H3
InChIKeyNIRABDWBFLDTEB-UHFFFAOYSA-N
XLogP5.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane?
The IUPAC name of 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane (CID 143831080) is 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane?
The canonical SMILES for 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane is CC.Cc1ccccc1-c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1.
What is the InChIKey of 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane?
The InChIKey is NIRABDWBFLDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2.C2H6/c1-9-4-2-3-5-11(9)16-19-14-12-8-10(18)6-7-13(12)22-15(14)17(21)20-16;1-2/h2-8H,1H3,(H,19,20,21);1-2H3.
What are the key properties of 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane?
8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane has a molecular weight of 385.26 g/mol, XLogP of 5.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 143831080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).