5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine

C11H17FN4O — CID 80845046

IUPAC5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCC(COC)C2)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-14-5-9(12)10(15-11)16-4-3-8(6-16)7-17-2/h5,8H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeyLXXFOLIRNOWSFK-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.13
Rot. Bonds4

About 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine

5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine (PubChem CID 80845046) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
PubChem CID80845046
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCC(COC)C2)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-14-5-9(12)10(15-11)16-4-3-8(6-16)7-17-2/h5,8H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeyLXXFOLIRNOWSFK-UHFFFAOYSA-N
XLogP1.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine (CID 80845046) is 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine is CNc1ncc(F)c(N2CCC(COC)C2)n1.
What is the InChIKey of 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine?
The InChIKey is LXXFOLIRNOWSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-13-11-14-5-9(12)10(15-11)16-4-3-8(6-16)7-17-2/h5,8H,3-4,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine?
5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine has a molecular weight of 240.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80845046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).