5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one

C7H5Cl3N2O — CID 114583017

IUPAC5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
SMILESC=C(Cl)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H5Cl3N2O/c1-4(8)2-12-3-11-6(10)5(9)7(12)13/h3H,1-2H2
InChIKeyCYHSKWRGPXJIPN-UHFFFAOYSA-N
MW239.49 g/mol
LogP2.30
Rot. Bonds2

About 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one

5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one (PubChem CID 114583017) has the molecular formula C7H5Cl3N2O and a molecular weight of 239.49 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
PubChem CID114583017
Molecular FormulaC7H5Cl3N2O
Molecular Weight239.49 g/mol
Exact Mass237.95
IUPAC Name5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
SMILESC=C(Cl)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H5Cl3N2O/c1-4(8)2-12-3-11-6(10)5(9)7(12)13/h3H,1-2H2
InChIKeyCYHSKWRGPXJIPN-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one (CID 114583017) is 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one is C=C(Cl)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The InChIKey is CYHSKWRGPXJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3N2O/c1-4(8)2-12-3-11-6(10)5(9)7(12)13/h3H,1-2H2.
What are the key properties of 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one has a molecular weight of 239.49 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 114583017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).