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

C13H14BrN3O — CID 83195620

IUPAC[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(OCc2ccccc2Br)ncc1CN
InChIInChI=1S/C13H14BrN3O/c1-9-11(6-15)7-16-13(17-9)18-8-10-4-2-3-5-12(10)14/h2-5,7H,6,8,15H2,1H3
InChIKeyNLHJAGQITAVMPL-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.59
Rot. Bonds4

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

[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83195620) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
PubChem CID83195620
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(OCc2ccccc2Br)ncc1CN
InChIInChI=1S/C13H14BrN3O/c1-9-11(6-15)7-16-13(17-9)18-8-10-4-2-3-5-12(10)14/h2-5,7H,6,8,15H2,1H3
InChIKeyNLHJAGQITAVMPL-UHFFFAOYSA-N
XLogP2.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromophenyl)methoxy]-4,6-dichloro-1,3,5-triazine
CID 82823763
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202
[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189535
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
CID 83188895
N-[2-[5-(aminomethyl)-4-methylpyrimidin-2-yl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 83196452
4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine
CID 82825383
[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828442
[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189366
[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 82831312

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine (CID 83195620) is [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine is Cc1nc(OCc2ccccc2Br)ncc1CN.
What is the InChIKey of [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is NLHJAGQITAVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-11(6-15)7-16-13(17-9)18-8-10-4-2-3-5-12(10)14/h2-5,7H,6,8,15H2,1H3.
What are the key properties of [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine?
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 308.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83195620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).