4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine

C11H16FN3O — CID 59618121

IUPAC4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine
SMILESCC(C)c1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C11H16FN3O/c1-8(2)10-9(12)7-13-11(14-10)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3
InChIKeyPFKYDJMRNQQYDO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.58
Rot. Bonds2

About 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine

4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine (PubChem CID 59618121) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine
PubChem CID59618121
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine
SMILESCC(C)c1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C11H16FN3O/c1-8(2)10-9(12)7-13-11(14-10)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3
InChIKeyPFKYDJMRNQQYDO-UHFFFAOYSA-N
XLogP1.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine (CID 59618121) is 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine is CC(C)c1nc(N2CCOCC2)ncc1F.
What is the InChIKey of 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine?
The InChIKey is PFKYDJMRNQQYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(2)10-9(12)7-13-11(14-10)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine?
4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine has a molecular weight of 225.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 59618121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).