4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine

C12H12BrN3O — CID 112751384

IUPAC4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(COc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-14-12-15-7-6-9(16-12)8-17-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyKVKQKHBEDYXOKC-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.86
Rot. Bonds4

About 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine

4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine (PubChem CID 112751384) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine
PubChem CID112751384
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(COc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-14-12-15-7-6-9(16-12)8-17-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyKVKQKHBEDYXOKC-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
4-(2-bromophenyl)-N-methylpyrimidin-2-amine
CID 63548579
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495
4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine
CID 117190937
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
CID 63547712
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908545
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine (CID 112751384) is 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine is CNc1nccc(COc2ccccc2Br)n1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is KVKQKHBEDYXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-14-12-15-7-6-9(16-12)8-17-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine?
4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 112751384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).