N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C15H9BrN4OS — CID 9300302

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESBrc1ccc(/C=N\Nc2ncnc3c2oc2ccccc23)s1
InChIInChI=1S/C15H9BrN4OS/c16-12-6-5-9(22-12)7-19-20-15-14-13(17-8-18-15)10-3-1-2-4-11(10)21-14/h1-8H,(H,17,18,20)/b19-7-
InChIKeyMWLXLZPEGAZXCG-GXHLCREISA-N
MW373.24 g/mol
LogP4.65
Rot. Bonds3

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 9300302) has the molecular formula C15H9BrN4OS and a molecular weight of 373.24 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID9300302
Molecular FormulaC15H9BrN4OS
Molecular Weight373.24 g/mol
Exact Mass371.97
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESBrc1ccc(/C=N\Nc2ncnc3c2oc2ccccc23)s1
InChIInChI=1S/C15H9BrN4OS/c16-12-6-5-9(22-12)7-19-20-15-14-13(17-8-18-15)10-3-1-2-4-11(10)21-14/h1-8H,(H,17,18,20)/b19-7-
InChIKeyMWLXLZPEGAZXCG-GXHLCREISA-N
XLogP4.65
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 9300302) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine is Brc1ccc(/C=N\Nc2ncnc3c2oc2ccccc23)s1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is MWLXLZPEGAZXCG-GXHLCREISA-N. The full InChI is InChI=1S/C15H9BrN4OS/c16-12-6-5-9(22-12)7-19-20-15-14-13(17-8-18-15)10-3-1-2-4-11(10)21-14/h1-8H,(H,17,18,20)/b19-7-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 373.24 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 9300302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).