4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one

C11H9FN2O2 — CID 136692382

IUPAC4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2ccccc2F)nc[nH]c1=O
InChIInChI=1S/C11H9FN2O2/c1-16-10-9(13-6-14-11(10)15)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14,15)
InChIKeyBRLKSHRJKBLUTK-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.58
Rot. Bonds2

About 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one

4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136692382) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136692382
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2ccccc2F)nc[nH]c1=O
InChIInChI=1S/C11H9FN2O2/c1-16-10-9(13-6-14-11(10)15)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14,15)
InChIKeyBRLKSHRJKBLUTK-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692477
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692261
5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
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-(5-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136769687
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
CID 136955551

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one (CID 136692382) is 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one is COc1c(-c2ccccc2F)nc[nH]c1=O.
What is the InChIKey of 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is BRLKSHRJKBLUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-10-9(13-6-14-11(10)15)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14,15).
What are the key properties of 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one?
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 220.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136692382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).