8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

C16H11BrFN5O — CID 139381709

IUPAC8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1
InChIInChI=1S/C16H11BrFN5O/c17-12-7-21-16(23-8-9(5-19)22-15(12)23)20-6-11-10-3-4-24-14(10)2-1-13(11)18/h1-2,7-8H,3-4,6H2,(H,20,21)
InChIKeyWEROVYOUOIXAEC-UHFFFAOYSA-N
MW388.20 g/mol
LogP3.05
Rot. Bonds3

About 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139381709) has the molecular formula C16H11BrFN5O and a molecular weight of 388.20 g/mol. Its IUPAC name is 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139381709
Molecular FormulaC16H11BrFN5O
Molecular Weight388.20 g/mol
Exact Mass387.01
IUPAC Name8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1
InChIInChI=1S/C16H11BrFN5O/c17-12-7-21-16(23-8-9(5-19)22-15(12)23)20-6-11-10-3-4-24-14(10)2-1-13(11)18/h1-2,7-8H,3-4,6H2,(H,20,21)
InChIKeyWEROVYOUOIXAEC-UHFFFAOYSA-N
XLogP3.05
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139381709) is 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1.
What is the InChIKey of 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is WEROVYOUOIXAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN5O/c17-12-7-21-16(23-8-9(5-19)22-15(12)23)20-6-11-10-3-4-24-14(10)2-1-13(11)18/h1-2,7-8H,3-4,6H2,(H,20,21).
What are the key properties of 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 388.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139381709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).