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

C6H10ClFN3O+ — CID 137178918

IUPACazanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(Cl)[nH]c(=O)c1F.[NH4+]
InChIInChI=1S/C6H6ClFN2O.H3N/c1-2-3-4(8)5(11)10-6(7)9-3;/h2H2,1H3,(H,9,10,11);1H3/p+1
InChIKeySRHMZIBWCLNYMC-UHFFFAOYSA-O
MW194.62 g/mol
LogP1.50
Rot. Bonds1

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

azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one (PubChem CID 137178918) has the molecular formula C6H10ClFN3O+ and a molecular weight of 194.62 g/mol. Its IUPAC name is azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameazanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one
PubChem CID137178918
Molecular FormulaC6H10ClFN3O+
Molecular Weight194.62 g/mol
Exact Mass194.05
IUPAC Nameazanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(Cl)[nH]c(=O)c1F.[NH4+]
InChIInChI=1S/C6H6ClFN2O.H3N/c1-2-3-4(8)5(11)10-6(7)9-3;/h2H2,1H3,(H,9,10,11);1H3/p+1
InChIKeySRHMZIBWCLNYMC-UHFFFAOYSA-O
XLogP1.50
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
ammonia; 2-chloro-6-ethyl-5-fluoro-1H-pyrimidin-4-one
CID 135932814
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 azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one (CID 137178918) is azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one is CCc1nc(Cl)[nH]c(=O)c1F.[NH4+].
What is the InChIKey of azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is SRHMZIBWCLNYMC-UHFFFAOYSA-O. 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/p+1.
What are the key properties of azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 194.62 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-chloro-4-ethyl-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 137178918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).