[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine

C15H18BrN3O — CID 82831312

IUPAC[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(OCc2ccccc2Br)c(CN)n1
InChIInChI=1S/C15H18BrN3O/c1-10(2)15-18-8-14(13(7-17)19-15)20-9-11-5-3-4-6-12(11)16/h3-6,8,10H,7,9,17H2,1-2H3
InChIKeyYGIXAZIKSLENJT-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.40
Rot. Bonds5

About [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 82831312) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID82831312
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(OCc2ccccc2Br)c(CN)n1
InChIInChI=1S/C15H18BrN3O/c1-10(2)15-18-8-14(13(7-17)19-15)20-9-11-5-3-4-6-12(11)16/h3-6,8,10H,7,9,17H2,1-2H3
InChIKeyYGIXAZIKSLENJT-UHFFFAOYSA-N
XLogP3.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 62321741
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
[3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine
CID 82827554
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
4-[(2-bromophenyl)methoxy]pyridin-3-amine
CID 82828460
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
CID 83195620
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
[5-(2-piperidin-1-ylethoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297532
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361

Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 82831312) is [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine is CC(C)c1ncc(OCc2ccccc2Br)c(CN)n1.
What is the InChIKey of [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is YGIXAZIKSLENJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(2)15-18-8-14(13(7-17)19-15)20-9-11-5-3-4-6-12(11)16/h3-6,8,10H,7,9,17H2,1-2H3.
What are the key properties of [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 336.23 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 82831312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).