5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine

C11H16FN3O — CID 103826213

IUPAC5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncc(F)cn1)C1CCOCC1
InChIInChI=1S/C11H16FN3O/c1-8(9-2-4-16-5-3-9)15-11-13-6-10(12)7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)
InChIKeyZYOMDYMHLJLNGI-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.84
Rot. Bonds3

About 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine

5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 103826213) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
PubChem CID103826213
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncc(F)cn1)C1CCOCC1
InChIInChI=1S/C11H16FN3O/c1-8(9-2-4-16-5-3-9)15-11-13-6-10(12)7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)
InChIKeyZYOMDYMHLJLNGI-UHFFFAOYSA-N
XLogP1.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine (CID 103826213) is 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine is CC(Nc1ncc(F)cn1)C1CCOCC1.
What is the InChIKey of 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is ZYOMDYMHLJLNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(9-2-4-16-5-3-9)15-11-13-6-10(12)7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine?
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 225.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103826213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).