4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one

C10H8FN3O2 — CID 136692261

IUPAC4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2cncc(F)c2)nc[nH]c1=O
InChIInChI=1S/C10H8FN3O2/c1-16-9-8(13-5-14-10(9)15)6-2-7(11)4-12-3-6/h2-5H,1H3,(H,13,14,15)
InChIKeyJKSOCLQODRBINT-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.98
Rot. Bonds2

About 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one

4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136692261) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136692261
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2cncc(F)c2)nc[nH]c1=O
InChIInChI=1S/C10H8FN3O2/c1-16-9-8(13-5-14-10(9)15)6-2-7(11)4-12-3-6/h2-5H,1H3,(H,13,14,15)
InChIKeyJKSOCLQODRBINT-UHFFFAOYSA-N
XLogP0.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoro-3-pyridinyl)-5-methoxy-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

Related Compounds

4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691696
5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136692798
4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692477
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136692107
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
CID 136955551
3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106515803
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136692266
5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136769899

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one (CID 136692261) is 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one is COc1c(-c2cncc(F)c2)nc[nH]c1=O.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JKSOCLQODRBINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-16-9-8(13-5-14-10(9)15)6-2-7(11)4-12-3-6/h2-5H,1H3,(H,13,14,15).
What are the key properties of 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one?
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 221.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136692261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).