5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine

C15H18BrN3O2 — CID 80880225

IUPAC5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2cccc(COC)c2)n1
InChIInChI=1S/C15H18BrN3O2/c1-3-7-17-15-18-9-13(16)14(19-15)21-12-6-4-5-11(8-12)10-20-2/h4-6,8-9H,3,7,10H2,1-2H3,(H,17,18,19)
InChIKeyBHYHWENSEKNKFU-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.00
Rot. Bonds7

About 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine

5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine (PubChem CID 80880225) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
PubChem CID80880225
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2cccc(COC)c2)n1
InChIInChI=1S/C15H18BrN3O2/c1-3-7-17-15-18-9-13(16)14(19-15)21-12-6-4-5-11(8-12)10-20-2/h4-6,8-9H,3,7,10H2,1-2H3,(H,17,18,19)
InChIKeyBHYHWENSEKNKFU-UHFFFAOYSA-N
XLogP4.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
CID 80876421
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80873058
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
4-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
CID 80914039
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine (CID 80880225) is 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(Oc2cccc(COC)c2)n1.
What is the InChIKey of 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine?
The InChIKey is BHYHWENSEKNKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-3-7-17-15-18-9-13(16)14(19-15)21-12-6-4-5-11(8-12)10-20-2/h4-6,8-9H,3,7,10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine?
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine has a molecular weight of 352.23 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80880225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).