5-fluoro-2-morpholin-4-ylpyrimidin-4-amine

C8H11FN4O — CID 756382

IUPAC5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESNc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C8H11FN4O/c9-6-5-11-8(12-7(6)10)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyXVIWRBYNWKOXGN-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.03
Rot. Bonds1

About 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine

5-fluoro-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 756382) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID756382
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESNc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C8H11FN4O/c9-6-5-11-8(12-7(6)10)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyXVIWRBYNWKOXGN-UHFFFAOYSA-N
XLogP0.03
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine (CID 756382) is 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine is Nc1nc(N2CCOCC2)ncc1F.
What is the InChIKey of 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is XVIWRBYNWKOXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-6-5-11-8(12-7(6)10)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12).
What are the key properties of 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
5-fluoro-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 198.20 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 756382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).