N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine

C15H16BrN3O — CID 107285101

IUPACN-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1Oc1ncc(CNC2CC2)cn1
InChIInChI=1S/C15H16BrN3O/c1-10-2-3-12(16)6-14(10)20-15-18-8-11(9-19-15)7-17-13-4-5-13/h2-3,6,8-9,13,17H,4-5,7H2,1H3
InChIKeyCHFNIERDIZWFHW-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.59
Rot. Bonds5

About N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 107285101) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID107285101
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1Oc1ncc(CNC2CC2)cn1
InChIInChI=1S/C15H16BrN3O/c1-10-2-3-12(16)6-14(10)20-15-18-8-11(9-19-15)7-17-13-4-5-13/h2-3,6,8-9,13,17H,4-5,7H2,1H3
InChIKeyCHFNIERDIZWFHW-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
N-[[2-(5-fluoro-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 102990027
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 107285110
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107286141
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406447
1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107283630
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 105407433
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116689598
N-[[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63553129

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine (CID 107285101) is N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine is Cc1ccc(Br)cc1Oc1ncc(CNC2CC2)cn1.
What is the InChIKey of N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is CHFNIERDIZWFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-2-3-12(16)6-14(10)20-15-18-8-11(9-19-15)7-17-13-4-5-13/h2-3,6,8-9,13,17H,4-5,7H2,1H3.
What are the key properties of N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 334.22 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107285101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).