4-(4-bromophenoxy)-6-chloropyrimidin-2-amine

C10H7BrClN3O — CID 806133

IUPAC4-(4-bromophenoxy)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C10H7BrClN3O/c11-6-1-3-7(4-2-6)16-9-5-8(12)14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyCAEKDTPGOCOWMH-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.27
Rot. Bonds2

About 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine

4-(4-bromophenoxy)-6-chloropyrimidin-2-amine (PubChem CID 806133) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-6-chloropyrimidin-2-amine
PubChem CID806133
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC Name4-(4-bromophenoxy)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C10H7BrClN3O/c11-6-1-3-7(4-2-6)16-9-5-8(12)14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyCAEKDTPGOCOWMH-UHFFFAOYSA-N
XLogP3.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine (CID 806133) is 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine is Nc1nc(Cl)cc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine?
The InChIKey is CAEKDTPGOCOWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c11-6-1-3-7(4-2-6)16-9-5-8(12)14-10(13)15-9/h1-5H,(H2,13,14,15).
What are the key properties of 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine?
4-(4-bromophenoxy)-6-chloropyrimidin-2-amine has a molecular weight of 300.54 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 806133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).