N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

C16H18BrN3O — CID 83187374

IUPACN-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ncc(CNC3CC3)c(C)n2)ccc1Br
InChIInChI=1S/C16H18BrN3O/c1-10-7-14(5-6-15(10)17)21-16-19-9-12(11(2)20-16)8-18-13-3-4-13/h5-7,9,13,18H,3-4,8H2,1-2H3
InChIKeyUEFOHEIKBBYCQL-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.90
Rot. Bonds5

About N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83187374) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83187374
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ncc(CNC3CC3)c(C)n2)ccc1Br
InChIInChI=1S/C16H18BrN3O/c1-10-7-14(5-6-15(10)17)21-16-19-9-12(11(2)20-16)8-18-13-3-4-13/h5-7,9,13,18H,3-4,8H2,1-2H3
InChIKeyUEFOHEIKBBYCQL-UHFFFAOYSA-N
XLogP3.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 83138147
N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186830
N-[[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83188048
N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187779
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114
N-[[2-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138177
N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187646
N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187804
N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552532
2-(3-bromophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184509
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138179

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (CID 83187374) is N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is Cc1cc(Oc2ncc(CNC3CC3)c(C)n2)ccc1Br.
What is the InChIKey of N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is UEFOHEIKBBYCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10-7-14(5-6-15(10)17)21-16-19-9-12(11(2)20-16)8-18-13-3-4-13/h5-7,9,13,18H,3-4,8H2,1-2H3.
What are the key properties of N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 348.24 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83187374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).