5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine

C13H13BrClN3O — CID 80869526

IUPAC5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13BrClN3O/c1-2-6-16-13-17-8-11(14)12(18-13)19-10-5-3-4-9(15)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyPINAFWAJKPHQLP-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.51
Rot. Bonds5

About 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine

5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80869526) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
PubChem CID80869526
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13BrClN3O/c1-2-6-16-13-17-8-11(14)12(18-13)19-10-5-3-4-9(15)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyPINAFWAJKPHQLP-UHFFFAOYSA-N
XLogP4.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80873058
4-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine (CID 80869526) is 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(Oc2cccc(Cl)c2)n1.
What is the InChIKey of 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is PINAFWAJKPHQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-2-6-16-13-17-8-11(14)12(18-13)19-10-5-3-4-9(15)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine?
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 342.62 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80869526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).