5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine

C11H10BrFN4 — CID 79717868

IUPAC5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cn2)ncc1Br
InChIInChI=1S/C11H10BrFN4/c1-2-14-10-8(12)6-16-11(17-10)9-4-3-7(13)5-15-9/h3-6H,2H2,1H3,(H,14,16,17)
InChIKeyLZJWIEWAZNJEAL-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine

5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine (PubChem CID 79717868) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
PubChem CID79717868
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cn2)ncc1Br
InChIInChI=1S/C11H10BrFN4/c1-2-14-10-8(12)6-16-11(17-10)9-4-3-7(13)5-15-9/h3-6H,2H2,1H3,(H,14,16,17)
InChIKeyLZJWIEWAZNJEAL-UHFFFAOYSA-N
XLogP2.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine (CID 79717868) is 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine is CCNc1nc(-c2ccc(F)cn2)ncc1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is LZJWIEWAZNJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-2-14-10-8(12)6-16-11(17-10)9-4-3-7(13)5-15-9/h3-6H,2H2,1H3,(H,14,16,17).
What are the key properties of 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 297.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 79717868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).