2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one

C14H15FN2O2 — CID 136889657

IUPAC2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C14H15FN2O2/c1-3-4-10-8-13(18)17-14(16-10)9-5-6-11(15)12(7-9)19-2/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyVOOVRYLSIYOBJO-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one

2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136889657) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136889657
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C14H15FN2O2/c1-3-4-10-8-13(18)17-14(16-10)9-5-6-11(15)12(7-9)19-2/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyVOOVRYLSIYOBJO-UHFFFAOYSA-N
XLogP2.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one (CID 136889657) is 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(-c2ccc(F)c(OC)c2)n1.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is VOOVRYLSIYOBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-4-10-8-13(18)17-14(16-10)9-5-6-11(15)12(7-9)19-2/h5-8H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one?
2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 262.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136889657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).