6-chloro-2,3-diethylpyrimidin-4-one

C8H11ClN2O — CID 114584343

IUPAC6-chloro-2,3-diethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC
InChIInChI=1S/C8H11ClN2O/c1-3-7-10-6(9)5-8(12)11(7)4-2/h5H,3-4H2,1-2H3
InChIKeyNLCLPYPLXJGLAR-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.48
Rot. Bonds2

About 6-chloro-2,3-diethylpyrimidin-4-one

6-chloro-2,3-diethylpyrimidin-4-one (PubChem CID 114584343) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 6-chloro-2,3-diethylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2,3-diethylpyrimidin-4-one
PubChem CID114584343
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name6-chloro-2,3-diethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC
InChIInChI=1S/C8H11ClN2O/c1-3-7-10-6(9)5-8(12)11(7)4-2/h5H,3-4H2,1-2H3
InChIKeyNLCLPYPLXJGLAR-UHFFFAOYSA-N
XLogP1.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-propan-2-yl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604603
6-Chloro-2-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114581616
6-Chloro-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114581628
6-Chloro-2-methyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(2,2-difluoroethyl)-2-methylpyrimidin-4-one
CID 114581781
6-Chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
CID 114581875
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-2-ethyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114584188
6-Chloro-2-ethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114584199
6-Chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114584264
6-Chloro-3-(difluoromethyl)-2-ethylpyrimidin-4-one
CID 114584300
6-Chloro-3-(2,2-difluoroethyl)-2-ethylpyrimidin-4-one
CID 114584316

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-diethylpyrimidin-4-one?
The IUPAC name of 6-chloro-2,3-diethylpyrimidin-4-one (CID 114584343) is 6-chloro-2,3-diethylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-2,3-diethylpyrimidin-4-one?
The canonical SMILES for 6-chloro-2,3-diethylpyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CC.
What is the InChIKey of 6-chloro-2,3-diethylpyrimidin-4-one?
The InChIKey is NLCLPYPLXJGLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-3-7-10-6(9)5-8(12)11(7)4-2/h5H,3-4H2,1-2H3.
What are the key properties of 6-chloro-2,3-diethylpyrimidin-4-one?
6-chloro-2,3-diethylpyrimidin-4-one has a molecular weight of 186.64 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-diethylpyrimidin-4-one is sourced from PubChem (CID 114584343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).