5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one

C8H9FN2O — CID 142610499

IUPAC5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C=C(/F)c1c(C)nc[nH]c1=O
InChIInChI=1S/C8H9FN2O/c1-3-6(9)7-5(2)10-4-11-8(7)12/h3-4H,1-2H3,(H,10,11,12)/b6-3+
InChIKeyXYNSNKWYVIBQAE-ZZXKWVIFSA-N
MW168.17 g/mol
LogP1.41
Rot. Bonds1

About 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one

5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 142610499) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID142610499
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C=C(/F)c1c(C)nc[nH]c1=O
InChIInChI=1S/C8H9FN2O/c1-3-6(9)7-5(2)10-4-11-8(7)12/h3-4H,1-2H3,(H,10,11,12)/b6-3+
InChIKeyXYNSNKWYVIBQAE-ZZXKWVIFSA-N
XLogP1.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Pyrimidinol, 5-ethyl-6-methyl-
CID 135854967
6-Ethyl-5-methyl-4(3H)-pyrimidinone
CID 135591009
5-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
CID 135588799
4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 135627621
6-(1-Fluoro-1-methyl-ethyl)-3H-pyrimidin-4-one
CID 135627622
6-(1-Fluoroethyl)-5-methyl-4-pyrimidone
CID 136364256
4-(2-fluorobutan-2-yl)-1H-pyrimidin-6-one
CID 136482545
4-(1-fluoropentyl)-5-methyl-1H-pyrimidin-6-one
CID 136482549
4-(1-fluorobutyl)-5-methyl-1H-pyrimidin-6-one
CID 136482552
4-(2-fluoropentan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136482559
4-(1-fluoropropyl)-5-methyl-1H-pyrimidin-6-one
CID 136482565
4-(2-fluorobutan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136482570

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one (CID 142610499) is 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one is C/C=C(/F)c1c(C)nc[nH]c1=O.
What is the InChIKey of 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XYNSNKWYVIBQAE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-3-6(9)7-5(2)10-4-11-8(7)12/h3-4H,1-2H3,(H,10,11,12)/b6-3+.
What are the key properties of 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one?
5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 168.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 142610499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).