5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine

C11H8BrClFN3O — CID 114071767

IUPAC5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(F)c(Nc2ncnc(Cl)c2Br)c1
InChIInChI=1S/C11H8BrClFN3O/c1-18-6-2-3-7(14)8(4-6)17-11-9(12)10(13)15-5-16-11/h2-5H,1H3,(H,15,16,17)
InChIKeyAWQGZICEVSIJAV-UHFFFAOYSA-N
MW332.56 g/mol
LogP3.78
Rot. Bonds3

About 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine

5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine (PubChem CID 114071767) has the molecular formula C11H8BrClFN3O and a molecular weight of 332.56 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine
PubChem CID114071767
Molecular FormulaC11H8BrClFN3O
Molecular Weight332.56 g/mol
Exact Mass330.95
IUPAC Name5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(F)c(Nc2ncnc(Cl)c2Br)c1
InChIInChI=1S/C11H8BrClFN3O/c1-18-6-2-3-7(14)8(4-6)17-11-9(12)10(13)15-5-16-11/h2-5H,1H3,(H,15,16,17)
InChIKeyAWQGZICEVSIJAV-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine (CID 114071767) is 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine is COc1ccc(F)c(Nc2ncnc(Cl)c2Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is AWQGZICEVSIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3O/c1-18-6-2-3-7(14)8(4-6)17-11-9(12)10(13)15-5-16-11/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine?
5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 332.56 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 114071767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).