N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C16H10BrN5OS — CID 91813199

IUPACN-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESBrc1ccccc1Nc1ncncc1-c1nc(-c2ccsc2)no1
InChIInChI=1S/C16H10BrN5OS/c17-12-3-1-2-4-13(12)20-15-11(7-18-9-19-15)16-21-14(22-23-16)10-5-6-24-8-10/h1-9H,(H,18,19,20)
InChIKeyDVRTZMUFWXVFNM-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.76
Rot. Bonds4

About N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91813199) has the molecular formula C16H10BrN5OS and a molecular weight of 400.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91813199
Molecular FormulaC16H10BrN5OS
Molecular Weight400.26 g/mol
Exact Mass398.98
IUPAC NameN-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESBrc1ccccc1Nc1ncncc1-c1nc(-c2ccsc2)no1
InChIInChI=1S/C16H10BrN5OS/c17-12-3-1-2-4-13(12)20-15-11(7-18-9-19-15)16-21-14(22-23-16)10-5-6-24-8-10/h1-9H,(H,18,19,20)
InChIKeyDVRTZMUFWXVFNM-UHFFFAOYSA-N
XLogP4.76
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91813199) is N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Brc1ccccc1Nc1ncncc1-c1nc(-c2ccsc2)no1.
What is the InChIKey of N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is DVRTZMUFWXVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5OS/c17-12-3-1-2-4-13(12)20-15-11(7-18-9-19-15)16-21-14(22-23-16)10-5-6-24-8-10/h1-9H,(H,18,19,20).
What are the key properties of N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 400.26 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91813199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).