4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine

C10H6BrClFN3O — CID 83235895

IUPAC4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C10H6BrClFN3O/c11-6-3-5(1-2-7(6)13)17-9-4-8(12)15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyPIIAQLDAVPFBGB-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.41
Rot. Bonds2

About 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine

4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine (PubChem CID 83235895) has the molecular formula C10H6BrClFN3O and a molecular weight of 318.53 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
PubChem CID83235895
Molecular FormulaC10H6BrClFN3O
Molecular Weight318.53 g/mol
Exact Mass316.94
IUPAC Name4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C10H6BrClFN3O/c11-6-3-5(1-2-7(6)13)17-9-4-8(12)15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyPIIAQLDAVPFBGB-UHFFFAOYSA-N
XLogP3.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
5-(2-amino-6-chloropyrimidin-4-yl)oxy-2-bromobenzaldehyde
CID 133384803
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214
6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80878320
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
4-(3-bromo-4-fluorophenoxy)-5-chloropyrimidin-2-amine
CID 83238470
4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80740168
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
4-chloro-6-pyridin-3-yloxypyrimidin-2-amine
CID 47159152
2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
CID 163247823
3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide
CID 47280236
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
CID 83231218

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine (CID 83235895) is 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine is Nc1nc(Cl)cc(Oc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine?
The InChIKey is PIIAQLDAVPFBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O/c11-6-3-5(1-2-7(6)13)17-9-4-8(12)15-10(14)16-9/h1-4H,(H2,14,15,16).
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine?
4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine has a molecular weight of 318.53 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 83235895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).