8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane

C15H17BrN2O2 — CID 143831013

IUPAC8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
SMILESCC.CC(C)c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1
InChIInChI=1S/C13H11BrN2O2.C2H6/c1-6(2)12-15-10-8-5-7(14)3-4-9(8)18-11(10)13(17)16-12;1-2/h3-6H,1-2H3,(H,15,16,17);1-2H3
InChIKeyUFVFFSKEAXPTIS-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.58
Rot. Bonds1

About 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane

8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane (PubChem CID 143831013) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
PubChem CID143831013
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
SMILESCC.CC(C)c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1
InChIInChI=1S/C13H11BrN2O2.C2H6/c1-6(2)12-15-10-8-5-7(14)3-4-9(8)18-11(10)13(17)16-12;1-2/h3-6H,1-2H3,(H,15,16,17);1-2H3
InChIKeyUFVFFSKEAXPTIS-UHFFFAOYSA-N
XLogP4.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane?
The IUPAC name of 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane (CID 143831013) is 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane?
The canonical SMILES for 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane is CC.CC(C)c1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1.
What is the InChIKey of 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane?
The InChIKey is UFVFFSKEAXPTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2.C2H6/c1-6(2)12-15-10-8-5-7(14)3-4-9(8)18-11(10)13(17)16-12;1-2/h3-6H,1-2H3,(H,15,16,17);1-2H3.
What are the key properties of 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane?
8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane has a molecular weight of 337.22 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 143831013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).