5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine

C12H11BrFN3O — CID 106998688

IUPAC5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2ccc(F)cc2C)ncc1Br
InChIInChI=1S/C12H11BrFN3O/c1-7-5-8(14)3-4-10(7)16-12-15-6-9(13)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyRMULJTBEMAYSJT-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.44
Rot. Bonds3

About 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine (PubChem CID 106998688) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine
PubChem CID106998688
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2ccc(F)cc2C)ncc1Br
InChIInChI=1S/C12H11BrFN3O/c1-7-5-8(14)3-4-10(7)16-12-15-6-9(13)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyRMULJTBEMAYSJT-UHFFFAOYSA-N
XLogP3.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998767
5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998597
5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106999086
5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
CID 106999041
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine
CID 107645852
5-bromo-N-(2-bromo-4-fluorophenyl)-4-methylpyridin-2-amine
CID 114870130
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
CID 107616386
2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine
CID 144841186
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
2-(4-fluoro-2-methylanilino)-4-[2-(3-methylbut-2-enoyl)phenoxy]pyrimidine-5-carboxamide
CID 90331277

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine (CID 106998688) is 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine is COc1nc(Nc2ccc(F)cc2C)ncc1Br.
What is the InChIKey of 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine?
The InChIKey is RMULJTBEMAYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-7-5-8(14)3-4-10(7)16-12-15-6-9(13)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine has a molecular weight of 312.14 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106998688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).