2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine

C15H17BrFN3O — CID 114676651

IUPAC2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COc2cc(Br)ccc2F)n1
InChIInChI=1S/C15H17BrFN3O/c1-3-6-18-14-7-10(2)19-15(20-14)9-21-13-8-11(16)4-5-12(13)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyOYJSFOCKIUNCIO-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.09
Rot. Bonds6

About 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine

2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 114676651) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID114676651
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COc2cc(Br)ccc2F)n1
InChIInChI=1S/C15H17BrFN3O/c1-3-6-18-14-7-10(2)19-15(20-14)9-21-13-8-11(16)4-5-12(13)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyOYJSFOCKIUNCIO-UHFFFAOYSA-N
XLogP4.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 107285486
2-[(5-bromo-2-chlorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80663368
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116689913
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
[2-[(4-bromo-2-chlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656342
2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654684
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654941

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 114676651) is 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(COc2cc(Br)ccc2F)n1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is OYJSFOCKIUNCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-3-6-18-14-7-10(2)19-15(20-14)9-21-13-8-11(16)4-5-12(13)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 354.22 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114676651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).