6-chloro-3-ethylpyrimidin-4-one

C6H7ClN2O — CID 114582240

IUPAC6-chloro-3-ethylpyrimidin-4-one
SMILESCCn1cnc(Cl)cc1=O
InChIInChI=1S/C6H7ClN2O/c1-2-9-4-8-5(7)3-6(9)10/h3-4H,2H2,1H3
InChIKeyORAINMBVTWCAHC-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.92
Rot. Bonds1

About 6-chloro-3-ethylpyrimidin-4-one

6-chloro-3-ethylpyrimidin-4-one (PubChem CID 114582240) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 6-chloro-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-ethylpyrimidin-4-one
PubChem CID114582240
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name6-chloro-3-ethylpyrimidin-4-one
SMILESCCn1cnc(Cl)cc1=O
InChIInChI=1S/C6H7ClN2O/c1-2-9-4-8-5(7)3-6(9)10/h3-4H,2H2,1H3
InChIKeyORAINMBVTWCAHC-UHFFFAOYSA-N
XLogP0.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-methylpyrimidin-4(3H)-one
CID 4366471
3-Ethylpyrimidin-4-one
CID 303829
3-Ethyl-6-fluoropyrimidin-4-one
CID 76852624
6-Chloro-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114581628
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-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582043
6-Chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582055
6-Chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582209
6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
6-Chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582396
6-Chloro-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one
CID 130526694

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-ethylpyrimidin-4-one (CID 114582240) is 6-chloro-3-ethylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-ethylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-ethylpyrimidin-4-one is CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-ethylpyrimidin-4-one?
The InChIKey is ORAINMBVTWCAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-9-4-8-5(7)3-6(9)10/h3-4H,2H2,1H3.
What are the key properties of 6-chloro-3-ethylpyrimidin-4-one?
6-chloro-3-ethylpyrimidin-4-one has a molecular weight of 158.59 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethylpyrimidin-4-one is sourced from PubChem (CID 114582240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).