azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one

C6H9ClFN3O — CID 135932814

IUPACazane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(Cl)[nH]c(=O)c1F.N
InChIInChI=1S/C6H6ClFN2O.H3N/c1-2-3-4(8)5(11)10-6(7)9-3;/h2H2,1H3,(H,9,10,11);1H3
InChIKeySRHMZIBWCLNYMC-UHFFFAOYSA-N
MW193.61 g/mol
LogP1.29
Rot. Bonds1

About azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one

azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one (PubChem CID 135932814) has the molecular formula C6H9ClFN3O and a molecular weight of 193.61 g/mol. Its IUPAC name is azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameazane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one
PubChem CID135932814
Molecular FormulaC6H9ClFN3O
Molecular Weight193.61 g/mol
Exact Mass193.04
IUPAC Nameazane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(Cl)[nH]c(=O)c1F.N
InChIInChI=1S/C6H6ClFN2O.H3N/c1-2-3-4(8)5(11)10-6(7)9-3;/h2H2,1H3,(H,9,10,11);1H3
InChIKeySRHMZIBWCLNYMC-UHFFFAOYSA-N
XLogP1.29
TPSA80.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.61
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-5-fluoro-4(3H)-pyrimidone
CID 135405387
6-Ethyl-5-fluoro-2-methoxypyrimidin-4(3H)-one
CID 136655212
2-Chloro-6-ethyl-5-fluoropyrimidin-4(3H)-one
CID 135552953
4-ethyl-2-fluoro-1H-pyrimidin-6-one
CID 135810240
2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 137205814
6-Ethyl-5-fluoro-2-methylpyrimidin-4-ol
CID 165572814
2-Chloro-6-ethyl-5-methylpyrimidin-4(3H)-one
CID 135667620
2-Chloro-6-ethylpyrimidin-4(3H)-one
CID 135667625
2-Chloro-6-ethyl-5-fluoro4-hydroxypyrimidine, ammonium salt
CID 137178918
5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one
CID 137000648
2-chloro-5-methyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 172410176

Frequently Asked Questions

What is the IUPAC name of azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one (CID 135932814) is azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one is CCc1nc(Cl)[nH]c(=O)c1F.N.
What is the InChIKey of azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is SRHMZIBWCLNYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O.H3N/c1-2-3-4(8)5(11)10-6(7)9-3;/h2H2,1H3,(H,9,10,11);1H3.
What are the key properties of azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 193.61 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 135932814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).