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4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine

C11H9BrClN3O — CID 82825368

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
SMILESNc1ncc(Cl)c(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C11H9BrClN3O/c12-8-3-1-7(2-4-8)6-17-10-9(13)5-15-11(14)16-10/h1-5H,6H2,(H2,14,15,16)
InChIKeyHJJUWNMQDCXPCV-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.05
Rot. Bonds3

About 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine

4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine (PubChem CID 82825368) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
PubChem CID82825368
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
SMILESNc1ncc(Cl)c(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C11H9BrClN3O/c12-8-3-1-7(2-4-8)6-17-10-9(13)5-15-11(14)16-10/h1-5H,6H2,(H2,14,15,16)
InChIKeyHJJUWNMQDCXPCV-UHFFFAOYSA-N
XLogP3.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine (CID 82825368) is 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine is Nc1ncc(Cl)c(OCc2ccc(Br)cc2)n1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine?
The InChIKey is HJJUWNMQDCXPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c12-8-3-1-7(2-4-8)6-17-10-9(13)5-15-11(14)16-10/h1-5H,6H2,(H2,14,15,16).
What are the key properties of 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine?
4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine has a molecular weight of 314.57 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine is sourced from PubChem (CID 82825368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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