8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C16H15BrN4S — CID 59030697

IUPAC8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2ccsc2)(c2cccc(Br)c2)C2=NCCCN12
InChIInChI=1S/C16H15BrN4S/c17-13-4-1-3-11(9-13)16(12-5-8-22-10-12)14-19-6-2-7-21(14)15(18)20-16/h1,3-5,8-10H,2,6-7H2,(H2,18,20)
InChIKeyITXIMSOPAYUVRC-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.19
Rot. Bonds2

About 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 59030697) has the molecular formula C16H15BrN4S and a molecular weight of 375.30 g/mol. Its IUPAC name is 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID59030697
Molecular FormulaC16H15BrN4S
Molecular Weight375.30 g/mol
Exact Mass374.02
IUPAC Name8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2ccsc2)(c2cccc(Br)c2)C2=NCCCN12
InChIInChI=1S/C16H15BrN4S/c17-13-4-1-3-11(9-13)16(12-5-8-22-10-12)14-19-6-2-7-21(14)15(18)20-16/h1,3-5,8-10H,2,6-7H2,(H2,18,20)
InChIKeyITXIMSOPAYUVRC-UHFFFAOYSA-N
XLogP3.19
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 59030697) is 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=NC(c2ccsc2)(c2cccc(Br)c2)C2=NCCCN12.
What is the InChIKey of 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is ITXIMSOPAYUVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4S/c17-13-4-1-3-11(9-13)16(12-5-8-22-10-12)14-19-6-2-7-21(14)15(18)20-16/h1,3-5,8-10H,2,6-7H2,(H2,18,20).
What are the key properties of 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 375.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 59030697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).