5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine

C11H14FN3O — CID 103760464

IUPAC5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CC3CCC2O3)c1F
InChIInChI=1S/C11H14FN3O/c1-6-10(12)11(14-5-13-6)15-8-4-7-2-3-9(8)16-7/h5,7-9H,2-4H2,1H3,(H,13,14,15)
InChIKeyONMFOINGHQHZFH-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.66
Rot. Bonds2

About 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine

5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine (PubChem CID 103760464) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
PubChem CID103760464
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CC3CCC2O3)c1F
InChIInChI=1S/C11H14FN3O/c1-6-10(12)11(14-5-13-6)15-8-4-7-2-3-9(8)16-7/h5,7-9H,2-4H2,1H3,(H,13,14,15)
InChIKeyONMFOINGHQHZFH-UHFFFAOYSA-N
XLogP1.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine (CID 103760464) is 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine is Cc1ncnc(NC2CC3CCC2O3)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine?
The InChIKey is ONMFOINGHQHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-6-10(12)11(14-5-13-6)15-8-4-7-2-3-9(8)16-7/h5,7-9H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine has a molecular weight of 223.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 103760464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).