5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine

C9H13FN4O — CID 80764372

IUPAC5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine
SMILESCC1CN(c2nc(N)ncc2F)CCO1
InChIInChI=1S/C9H13FN4O/c1-6-5-14(2-3-15-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyXZOVULREIYDTML-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.42
Rot. Bonds1

About 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine

5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine (PubChem CID 80764372) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine
PubChem CID80764372
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine
SMILESCC1CN(c2nc(N)ncc2F)CCO1
InChIInChI=1S/C9H13FN4O/c1-6-5-14(2-3-15-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyXZOVULREIYDTML-UHFFFAOYSA-N
XLogP0.42
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine (CID 80764372) is 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine is CC1CN(c2nc(N)ncc2F)CCO1.
What is the InChIKey of 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine?
The InChIKey is XZOVULREIYDTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-6-5-14(2-3-15-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H2,11,12,13).
What are the key properties of 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine?
5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine has a molecular weight of 212.23 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80764372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).