5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

C18H17FN6O — CID 59507831

IUPAC5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc(-c3ccc(F)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H17FN6O/c19-16-3-1-12(10-21-16)14-9-15(13-2-4-17(20)22-11-13)24-18(23-14)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H2,20,22)
InChIKeyMEQWVVOUAHARCW-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.16
Rot. Bonds3

About 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (PubChem CID 59507831) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
PubChem CID59507831
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc(-c3ccc(F)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H17FN6O/c19-16-3-1-12(10-21-16)14-9-15(13-2-4-17(20)22-11-13)24-18(23-14)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H2,20,22)
InChIKeyMEQWVVOUAHARCW-UHFFFAOYSA-N
XLogP2.16
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (CID 59507831) is 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is Nc1ccc(-c2cc(-c3ccc(F)nc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The InChIKey is MEQWVVOUAHARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-16-3-1-12(10-21-16)14-9-15(13-2-4-17(20)22-11-13)24-18(23-14)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H2,20,22).
What are the key properties of 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine has a molecular weight of 352.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 59507831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).