2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine

C12H12BrN3O — CID 62201562

IUPAC2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)cc(N)n2)cc1Br
InChIInChI=1S/C12H12BrN3O/c1-7-5-11(14)16-12(15-7)8-3-4-10(17-2)9(13)6-8/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyCQHFLTLHUBEJRO-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.81
Rot. Bonds2

About 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine

2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 62201562) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID62201562
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)cc(N)n2)cc1Br
InChIInChI=1S/C12H12BrN3O/c1-7-5-11(14)16-12(15-7)8-3-4-10(17-2)9(13)6-8/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyCQHFLTLHUBEJRO-UHFFFAOYSA-N
XLogP2.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine
CID 66479676
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892490
4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 106951384
2-(3-bromo-4-methoxyphenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
CID 66295776
2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine
CID 21232276
4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one
CID 82094499
2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293771
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892561

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 62201562) is 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccc(-c2nc(C)cc(N)n2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is CQHFLTLHUBEJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-7-5-11(14)16-12(15-7)8-3-4-10(17-2)9(13)6-8/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62201562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).