N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C16H10BrN3O — CID 5328425

IUPACN-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C16H10BrN3O/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15/h1-9H,(H,18,19,20)
InChIKeyIBILPMVWJIFCOY-UHFFFAOYSA-N
MW340.18 g/mol
LogP4.88
Rot. Bonds2

About N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 5328425) has the molecular formula C16H10BrN3O and a molecular weight of 340.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID5328425
Molecular FormulaC16H10BrN3O
Molecular Weight340.18 g/mol
Exact Mass339.00
IUPAC NameN-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C16H10BrN3O/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15/h1-9H,(H,18,19,20)
InChIKeyIBILPMVWJIFCOY-UHFFFAOYSA-N
XLogP4.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 5328425) is N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is Brc1cccc(Nc2ncnc3c2oc2ccccc23)c1.
What is the InChIKey of N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is IBILPMVWJIFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15/h1-9H,(H,18,19,20).
What are the key properties of N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 340.18 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 5328425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).