5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one

C9H13FN2O2 — CID 136730196

IUPAC5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C9H13FN2O2/c1-5(14-3)4-7-11-6(2)8(10)9(13)12-7/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyNHRAZSQNQPZRHW-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.79
Rot. Bonds3

About 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136730196) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136730196
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C9H13FN2O2/c1-5(14-3)4-7-11-6(2)8(10)9(13)12-7/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyNHRAZSQNQPZRHW-UHFFFAOYSA-N
XLogP0.79
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one (CID 136730196) is 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one is COC(C)Cc1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NHRAZSQNQPZRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-5(14-3)4-7-11-6(2)8(10)9(13)12-7/h5H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 200.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).