4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine

C17H15FN6O — CID 25072351

IUPAC4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine
SMILESFc1cnc(-c2nccc(-c3ccccn3)n2)nc1N1CCOCC1
InChIInChI=1S/C17H15FN6O/c18-12-11-21-16(23-17(12)24-7-9-25-10-8-24)15-20-6-4-14(22-15)13-3-1-2-5-19-13/h1-6,11H,7-10H2
InChIKeyIMNHXLWCQNIQFQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.97
Rot. Bonds3

About 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine

4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine (PubChem CID 25072351) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine
PubChem CID25072351
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine
SMILESFc1cnc(-c2nccc(-c3ccccn3)n2)nc1N1CCOCC1
InChIInChI=1S/C17H15FN6O/c18-12-11-21-16(23-17(12)24-7-9-25-10-8-24)15-20-6-4-14(22-15)13-3-1-2-5-19-13/h1-6,11H,7-10H2
InChIKeyIMNHXLWCQNIQFQ-UHFFFAOYSA-N
XLogP1.97
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine (CID 25072351) is 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine is Fc1cnc(-c2nccc(-c3ccccn3)n2)nc1N1CCOCC1.
What is the InChIKey of 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine?
The InChIKey is IMNHXLWCQNIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c18-12-11-21-16(23-17(12)24-7-9-25-10-8-24)15-20-6-4-14(22-15)13-3-1-2-5-19-13/h1-6,11H,7-10H2.
What are the key properties of 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine?
4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine has a molecular weight of 338.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(4-pyridin-2-ylpyrimidin-2-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 25072351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).