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

C7H5Cl3N2O — CID 114582932

IUPAC5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C/C=C/Cl
InChIInChI=1S/C7H5Cl3N2O/c8-2-1-3-12-4-11-6(10)5(9)7(12)13/h1-2,4H,3H2/b2-1+
InChIKeyKCQQWLGLBGIKJK-OWOJBTEDSA-N
MW239.49 g/mol
LogP2.30
Rot. Bonds2

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

5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one (PubChem CID 114582932) has the molecular formula C7H5Cl3N2O and a molecular weight of 239.49 g/mol. Its IUPAC name is 5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
PubChem CID114582932
Molecular FormulaC7H5Cl3N2O
Molecular Weight239.49 g/mol
Exact Mass237.95
IUPAC Name5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C/C=C/Cl
InChIInChI=1S/C7H5Cl3N2O/c8-2-1-3-12-4-11-6(10)5(9)7(12)13/h1-2,4H,3H2/b2-1+
InChIKeyKCQQWLGLBGIKJK-OWOJBTEDSA-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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Related Compounds

5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
2-(1,6-Dihydro-6-oxopyrimidin-1-yl)ethyl chloride
CID 19772555
3-(3-Chloroprop-2-enyl)-5-iodopyrimidin-4-one
CID 77120210
3-(2,3-Dichloroprop-2-enyl)-5-iodopyrimidin-4-one
CID 79173191
5,6-Dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
6-Chloro-3-prop-2-enylpyrimidin-4-one
CID 114582030
6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
CID 114582064
6-Chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
CID 114582152
6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one
CID 114582337
5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
CID 114582503
5,6-Dichloro-3-prop-2-enylpyrimidin-4-one
CID 114582898
3-But-3-en-2-yl-5,6-dichloropyrimidin-4-one
CID 114582923

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one (CID 114582932) is 5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1C/C=C/Cl.
What is the InChIKey of 5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The InChIKey is KCQQWLGLBGIKJK-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H5Cl3N2O/c8-2-1-3-12-4-11-6(10)5(9)7(12)13/h1-2,4H,3H2/b2-1+.
What are the key properties of 5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
5,6-dichloro-3-[(E)-3-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-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one is sourced from PubChem (CID 114582932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).