4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine

C14H10BrN3S — CID 11244451

IUPAC4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)n1
InChIInChI=1S/C14H10BrN3S/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18)
InChIKeyVLPLICUQLPPAEG-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.22
Rot. Bonds2

About 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine

4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 11244451) has the molecular formula C14H10BrN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID11244451
Molecular FormulaC14H10BrN3S
Molecular Weight332.23 g/mol
Exact Mass330.98
IUPAC Name4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)n1
InChIInChI=1S/C14H10BrN3S/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18)
InChIKeyVLPLICUQLPPAEG-UHFFFAOYSA-N
XLogP4.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine (CID 11244451) is 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine is Nc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)n1.
What is the InChIKey of 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is VLPLICUQLPPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3S/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18).
What are the key properties of 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine?
4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 332.23 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 11244451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).