8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C11H7BrN2O2 — CID 135498125

IUPAC8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1
InChIInChI=1S/C11H7BrN2O2/c1-5-13-9-7-4-6(12)2-3-8(7)16-10(9)11(15)14-5/h2-4H,1H3,(H,13,14,15)
InChIKeySDHAWFILGYKVMN-UHFFFAOYSA-N
MW279.09 g/mol
LogP2.74
Rot. Bonds

About 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135498125) has the molecular formula C11H7BrN2O2 and a molecular weight of 279.09 g/mol. Its IUPAC name is 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135498125
Molecular FormulaC11H7BrN2O2
Molecular Weight279.09 g/mol
Exact Mass277.97
IUPAC Name8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1
InChIInChI=1S/C11H7BrN2O2/c1-5-13-9-7-4-6(12)2-3-8(7)16-10(9)11(15)14-5/h2-4H,1H3,(H,13,14,15)
InChIKeySDHAWFILGYKVMN-UHFFFAOYSA-N
XLogP2.74
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831013
8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831080
2-(4-amino-2-methylphenyl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135868000
8-bromo-2-(4-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867950
2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;dihydrochloride
CID 142704358
8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867999
8-bromo-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135566645
8-bromo-2-(2-iodophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867908
8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867926
8-bromo-2-(4-methylpiperazine-1-carbonyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867943
8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867997
2-[(3-aminopyrrolidin-1-yl)methyl]-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867924

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135498125) is 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is Cc1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1.
What is the InChIKey of 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is SDHAWFILGYKVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2/c1-5-13-9-7-4-6(12)2-3-8(7)16-10(9)11(15)14-5/h2-4H,1H3,(H,13,14,15).
What are the key properties of 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 279.09 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135498125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).