5-(4-bromophenyl)-6-chloropyrimidin-4-amine

C10H7BrClN3 — CID 87551437

IUPAC5-(4-bromophenyl)-6-chloropyrimidin-4-amine
SMILESNc1ncnc(Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C10H7BrClN3/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H,(H2,13,14,15)
InChIKeyYVLKRTSOTYYZCX-UHFFFAOYSA-N
MW284.54 g/mol
LogP3.14
Rot. Bonds1

About 5-(4-bromophenyl)-6-chloropyrimidin-4-amine

5-(4-bromophenyl)-6-chloropyrimidin-4-amine (PubChem CID 87551437) has the molecular formula C10H7BrClN3 and a molecular weight of 284.54 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-chloropyrimidin-4-amine
PubChem CID87551437
Molecular FormulaC10H7BrClN3
Molecular Weight284.54 g/mol
Exact Mass282.95
IUPAC Name5-(4-bromophenyl)-6-chloropyrimidin-4-amine
SMILESNc1ncnc(Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C10H7BrClN3/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H,(H2,13,14,15)
InChIKeyYVLKRTSOTYYZCX-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-chloropyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-6-chloropyrimidin-4-amine (CID 87551437) is 5-(4-bromophenyl)-6-chloropyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-chloropyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-chloropyrimidin-4-amine is Nc1ncnc(Cl)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-chloropyrimidin-4-amine?
The InChIKey is YVLKRTSOTYYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H,(H2,13,14,15).
What are the key properties of 5-(4-bromophenyl)-6-chloropyrimidin-4-amine?
5-(4-bromophenyl)-6-chloropyrimidin-4-amine has a molecular weight of 284.54 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-chloropyrimidin-4-amine is sourced from PubChem (CID 87551437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).