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

C11H7ClN2O2 — CID 135404025

IUPAC8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(oc3ccc(Cl)cc32)c(=O)[nH]1
InChIInChI=1S/C11H7ClN2O2/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)
InChIKeyMIYFSEUAWRUWBR-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.63
Rot. Bonds

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

8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135404025) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135404025
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(oc3ccc(Cl)cc32)c(=O)[nH]1
InChIInChI=1S/C11H7ClN2O2/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)
InChIKeyMIYFSEUAWRUWBR-UHFFFAOYSA-N
XLogP2.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135404025) is 8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is Cc1nc2c(oc3ccc(Cl)cc32)c(=O)[nH]1.
What is the InChIKey of 8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is MIYFSEUAWRUWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/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-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 234.64 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135404025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).