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

C9H13FN4O — CID 3121396

IUPAC5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCNc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C9H13FN4O/c1-11-8-7(10)6-12-9(13-8)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyCINQNKPTYNTREP-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.49
Rot. Bonds2

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

5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 3121396) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID3121396
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCNc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C9H13FN4O/c1-11-8-7(10)6-12-9(13-8)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyCINQNKPTYNTREP-UHFFFAOYSA-N
XLogP0.49
TPSA50.28 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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 3121396) is 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is CNc1nc(N2CCOCC2)ncc1F.
What is the InChIKey of 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is CINQNKPTYNTREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-11-8-7(10)6-12-9(13-8)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 212.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3121396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).