2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

C11H15FN2O2 — CID 136997697

IUPAC2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(F)c(=O)[nH]1)C1CC1
InChIInChI=1S/C11H15FN2O2/c1-3-16-9(7-4-5-7)10-13-6(2)8(12)11(15)14-10/h7,9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyJNIBVPFGGWXVNK-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.71
Rot. Bonds4

About 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997697) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136997697
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(F)c(=O)[nH]1)C1CC1
InChIInChI=1S/C11H15FN2O2/c1-3-16-9(7-4-5-7)10-13-6(2)8(12)11(15)14-10/h7,9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyJNIBVPFGGWXVNK-UHFFFAOYSA-N
XLogP1.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136997697) is 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOC(c1nc(C)c(F)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JNIBVPFGGWXVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-16-9(7-4-5-7)10-13-6(2)8(12)11(15)14-10/h7,9H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 226.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).