[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine

C13H14BrN3O — CID 83188696

IUPAC[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1ccc(Oc2ncc(CN)c(C)n2)c(Br)c1
InChIInChI=1S/C13H14BrN3O/c1-8-3-4-12(11(14)5-8)18-13-16-7-10(6-15)9(2)17-13/h3-5,7H,6,15H2,1-2H3
InChIKeyOXTMOCBRKHBDEK-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.11
Rot. Bonds3

About [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine

[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83188696) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83188696
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1ccc(Oc2ncc(CN)c(C)n2)c(Br)c1
InChIInChI=1S/C13H14BrN3O/c1-8-3-4-12(11(14)5-8)18-13-16-7-10(6-15)9(2)17-13/h3-5,7H,6,15H2,1-2H3
InChIKeyOXTMOCBRKHBDEK-UHFFFAOYSA-N
XLogP3.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.11
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
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196772
[2-(2,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188778
[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol
CID 113387912
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
1-[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83188917
[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
CID 55125081
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189366
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
CID 83195620

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine (CID 83188696) is [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine is Cc1ccc(Oc2ncc(CN)c(C)n2)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is OXTMOCBRKHBDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-3-4-12(11(14)5-8)18-13-16-7-10(6-15)9(2)17-13/h3-5,7H,6,15H2,1-2H3.
What are the key properties of [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine?
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 308.18 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83188696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).