4-ethyl-5-fluoro-1H-pyrimidin-6-one

C6H7FN2O — CID 135405387

IUPAC4-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc[nH]c(=O)c1F
InChIInChI=1S/C6H7FN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
InChIKeyZEMRCKIJEFNNCO-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.47
Rot. Bonds1

About 4-ethyl-5-fluoro-1H-pyrimidin-6-one

4-ethyl-5-fluoro-1H-pyrimidin-6-one (PubChem CID 135405387) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1H-pyrimidin-6-one
PubChem CID135405387
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name4-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc[nH]c(=O)c1F
InChIInChI=1S/C6H7FN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
InChIKeyZEMRCKIJEFNNCO-UHFFFAOYSA-N
XLogP0.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-5-methyl-4(3H)-pyrimidinone
CID 135591009
4-Pyrimidinol, 5-fluoro-6-(fluoromethyl)-
CID 135473506
6-Ethylpyrimidin-4-ol
CID 135407688
6-(1-Fluoroethyl)-5-iodo-4-pyrimidone
CID 135433439
5-Fluoro-6-methylpyrimidin-4-ol
CID 135435246
5-Chloro-6-(1-fluoroethyl)-4-pyrimidone
CID 135440522
6-(1-Fluoroethyl)-4(1H)-pyrimidinone
CID 135471807
2-Chloro-6-ethyl-5-fluoropyrimidin-4(3H)-one
CID 135552953
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
5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
CID 135627623

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-fluoro-1H-pyrimidin-6-one (CID 135405387) is 4-ethyl-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-fluoro-1H-pyrimidin-6-one is CCc1nc[nH]c(=O)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is ZEMRCKIJEFNNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 4-ethyl-5-fluoro-1H-pyrimidin-6-one?
4-ethyl-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 142.13 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 135405387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).