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

C12H11BrFN3O — CID 66303209

IUPAC5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)c(Br)c(N)n2)cc1F
InChIInChI=1S/C12H11BrFN3O/c1-6-10(13)11(15)17-12(16-6)7-3-4-9(18-2)8(14)5-7/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyCXKZEGZDGPZJAF-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.94
Rot. Bonds2

About 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine

5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 66303209) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID66303209
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)c(Br)c(N)n2)cc1F
InChIInChI=1S/C12H11BrFN3O/c1-6-10(13)11(15)17-12(16-6)7-3-4-9(18-2)8(14)5-7/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyCXKZEGZDGPZJAF-UHFFFAOYSA-N
XLogP2.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 66303209) is 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccc(-c2nc(C)c(Br)c(N)n2)cc1F.
What is the InChIKey of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is CXKZEGZDGPZJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-6-10(13)11(15)17-12(16-6)7-3-4-9(18-2)8(14)5-7/h3-5H,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 312.14 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66303209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).