5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one

C6H7FN2O2 — CID 135490606

IUPAC5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyDSJDAYXYEHYGGC-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.23
Rot. Bonds1

About 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one (PubChem CID 135490606) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one
PubChem CID135490606
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyDSJDAYXYEHYGGC-UHFFFAOYSA-N
XLogP0.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-fluoro-6-methylpyrimidin-4(1h)-one
CID 135455309
6-Ethyl-5-fluoro-2-methoxypyrimidin-4(3H)-one
CID 136655212
5,6-Dimethyl-4-hydroxy-2-methoxypyrimidine
CID 135803836
2-Methoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135504050
2-methoxy-5-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136393873
5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one
CID 170192665
5-Iodo-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135461937
2-Ethoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135741815
6-amino-5-fluoro-2-methoxypyrimidin-4(1H)-one
CID 136935015
2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 137205814
5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one
CID 175046934
5-chloro-2-methoxy-4-methyl-1H-pyrimidin-6-one
CID 135803820

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one (CID 135490606) is 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one is COc1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DSJDAYXYEHYGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10).
What are the key properties of 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one has a molecular weight of 158.13 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135490606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).