5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine

C11H9BrFN3O — CID 107922895

IUPAC5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(-c2ncc(Br)c(N)n2)ccc1F
InChIInChI=1S/C11H9BrFN3O/c1-17-9-4-6(2-3-8(9)13)11-15-5-7(12)10(14)16-11/h2-5H,1H3,(H2,14,15,16)
InChIKeyTUEYQXSOSZIAAR-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.64
Rot. Bonds2

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

5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 107922895) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
PubChem CID107922895
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(-c2ncc(Br)c(N)n2)ccc1F
InChIInChI=1S/C11H9BrFN3O/c1-17-9-4-6(2-3-8(9)13)11-15-5-7(12)10(14)16-11/h2-5H,1H3,(H2,14,15,16)
InChIKeyTUEYQXSOSZIAAR-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922881
4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 114207171
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 107922497
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloropyrimidine
CID 82809152

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine (CID 107922895) is 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine is COc1cc(-c2ncc(Br)c(N)n2)ccc1F.
What is the InChIKey of 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is TUEYQXSOSZIAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-17-9-4-6(2-3-8(9)13)11-15-5-7(12)10(14)16-11/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 298.12 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 107922895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).