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

C15H15BrClN3O — CID 83187779

IUPACN-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(Oc2ccc(Cl)cc2Br)ncc1CNC1CC1
InChIInChI=1S/C15H15BrClN3O/c1-9-10(7-18-12-3-4-12)8-19-15(20-9)21-14-5-2-11(17)6-13(14)16/h2,5-6,8,12,18H,3-4,7H2,1H3
InChIKeyUIUXOJYFYLUZEX-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.25
Rot. Bonds5

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

N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83187779) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83187779
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC NameN-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(Oc2ccc(Cl)cc2Br)ncc1CNC1CC1
InChIInChI=1S/C15H15BrClN3O/c1-9-10(7-18-12-3-4-12)8-19-15(20-9)21-14-5-2-11(17)6-13(14)16/h2,5-6,8,12,18H,3-4,7H2,1H3
InChIKeyUIUXOJYFYLUZEX-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83188048
1-[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83188917
N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187374
N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186830
N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187804
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323781
N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
N-[[2-(2-bromo-4-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83186680
5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
CID 83184065
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (CID 83187779) is N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(Oc2ccc(Cl)cc2Br)ncc1CNC1CC1.
What is the InChIKey of N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is UIUXOJYFYLUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-9-10(7-18-12-3-4-12)8-19-15(20-9)21-14-5-2-11(17)6-13(14)16/h2,5-6,8,12,18H,3-4,7H2,1H3.
What are the key properties of N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 368.66 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83187779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).