6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one

C7H8ClFN2O — CID 114581875

IUPAC6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCF
InChIInChI=1S/C7H8ClFN2O/c1-5-10-6(8)4-7(12)11(5)3-2-9/h4H,2-3H2,1H3
InChIKeyXTLMKQMOKJVNPR-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.17
Rot. Bonds2

About 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one

6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one (PubChem CID 114581875) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
PubChem CID114581875
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCF
InChIInChI=1S/C7H8ClFN2O/c1-5-10-6(8)4-7(12)11(5)3-2-9/h4H,2-3H2,1H3
InChIKeyXTLMKQMOKJVNPR-UHFFFAOYSA-N
XLogP1.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
6-Amino-2,3-dimethyl-4(3H)-pyrimidinone
CID 12778112
3-Ethenyl-2-(fluoromethyl)pyrimidin-4-one
CID 159542129
3-Ethyl-2-methylpyrimidin-4-one
CID 295916
3-Ethyl-6-fluoropyrimidin-4-one
CID 76852624
6-Chloro-2-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705726
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-(difluoromethyl)-2-methylpyrimidin-4-one
CID 114581758
6-Chloro-3-(2,2-difluoroethyl)-2-methylpyrimidin-4-one
CID 114581781

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one (CID 114581875) is 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCF.
What is the InChIKey of 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one?
The InChIKey is XTLMKQMOKJVNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-5-10-6(8)4-7(12)11(5)3-2-9/h4H,2-3H2,1H3.
What are the key properties of 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one?
6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one has a molecular weight of 190.60 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).