4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine

C12H12BrN3O — CID 112751405

IUPAC4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
SMILESCc1cc(OCc2ccnc(N)n2)ccc1Br
InChIInChI=1S/C12H12BrN3O/c1-8-6-10(2-3-11(8)13)17-7-9-4-5-15-12(14)16-9/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyHFMXHFYSDFGWKP-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.71
Rot. Bonds3

About 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine

4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine (PubChem CID 112751405) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
PubChem CID112751405
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
SMILESCc1cc(OCc2ccnc(N)n2)ccc1Br
InChIInChI=1S/C12H12BrN3O/c1-8-6-10(2-3-11(8)13)17-7-9-4-5-15-12(14)16-9/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyHFMXHFYSDFGWKP-UHFFFAOYSA-N
XLogP2.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 83140991
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908616
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole
CID 115318324
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83141076
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094
3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine
CID 106994644

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine (CID 112751405) is 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine is Cc1cc(OCc2ccnc(N)n2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine?
The InChIKey is HFMXHFYSDFGWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-6-10(2-3-11(8)13)17-7-9-4-5-15-12(14)16-9/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine?
4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112751405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).