(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine

C9H13FN4O — CID 21156478

IUPAC(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine
SMILESNCc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C9H13FN4O/c10-7-6-12-9(13-8(7)5-11)14-1-3-15-4-2-14/h6H,1-5,11H2
InChIKeyRBYZSEFYIXIODR-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.09
Rot. Bonds2

About (5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine

(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine (PubChem CID 21156478) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is (5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine
PubChem CID21156478
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine
SMILESNCc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C9H13FN4O/c10-7-6-12-9(13-8(7)5-11)14-1-3-15-4-2-14/h6H,1-5,11H2
InChIKeyRBYZSEFYIXIODR-UHFFFAOYSA-N
XLogP-0.09
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.09
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-yl)methanamine?
The IUPAC name of (5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine (CID 21156478) is (5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for (5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine is NCc1nc(N2CCOCC2)ncc1F.
What is the InChIKey of (5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine?
The InChIKey is RBYZSEFYIXIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-7-6-12-9(13-8(7)5-11)14-1-3-15-4-2-14/h6H,1-5,11H2.
What are the key properties of (5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine?
(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)methanamine has a molecular weight of 212.23 g/mol, XLogP of -0.09, 2 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-yl)methanamine is sourced from PubChem (CID 21156478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).