5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one

C10H8FN3O2 — CID 106516036

IUPAC5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2[nH]c(=O)ncc2F)cn1
InChIInChI=1S/C10H8FN3O2/c1-16-8-3-2-6(4-12-8)9-7(11)5-13-10(15)14-9/h2-5H,1H3,(H,13,14,15)
InChIKeyGELHXYUIEVNSOP-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.98
Rot. Bonds2

About 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one

5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one (PubChem CID 106516036) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one
PubChem CID106516036
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2[nH]c(=O)ncc2F)cn1
InChIInChI=1S/C10H8FN3O2/c1-16-8-3-2-6(4-12-8)9-7(11)5-13-10(15)14-9/h2-5H,1H3,(H,13,14,15)
InChIKeyGELHXYUIEVNSOP-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

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106514718
5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one
CID 106518511
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-fluoro-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 106516268
3-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-4-methoxybenzonitrile
CID 106951711
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one
CID 106522060
5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one
CID 13065766
6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516880
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one (CID 106516036) is 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one is COc1ccc(-c2[nH]c(=O)ncc2F)cn1.
What is the InChIKey of 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one?
The InChIKey is GELHXYUIEVNSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-16-8-3-2-6(4-12-8)9-7(11)5-13-10(15)14-9/h2-5H,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one?
5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-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 5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106516036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).