5,6-dichloro-3-prop-2-enylpyrimidin-4-one

C7H6Cl2N2O — CID 114582898

IUPAC5,6-dichloro-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h2,4H,1,3H2
InChIKeyYCTQJYPNNUSDBN-UHFFFAOYSA-N
MW205.04 g/mol
LogP1.74
Rot. Bonds2

About 5,6-dichloro-3-prop-2-enylpyrimidin-4-one

5,6-dichloro-3-prop-2-enylpyrimidin-4-one (PubChem CID 114582898) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 5,6-dichloro-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-prop-2-enylpyrimidin-4-one
PubChem CID114582898
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name5,6-dichloro-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h2,4H,1,3H2
InChIKeyYCTQJYPNNUSDBN-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
5,6-Dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583076
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5,6-Dichloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583250
2-(1,6-Dihydro-6-oxopyrimidin-1-yl)ethyl chloride
CID 19772555
2,6-Dichloro-3-ethyl-4(3h)-pyrimidinone
CID 118483166
2-(4-Chloro-6-oxopyrimidin-1-yl)acetonitrile
CID 114582029
6-Chloro-3-prop-2-enylpyrimidin-4-one
CID 114582030
6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
CID 114582064
3-[(E)-but-2-enyl]-6-chloropyrimidin-4-one
CID 114582099
6-Chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
CID 114582152
6-Chloro-3-ethylpyrimidin-4-one
CID 114582240

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-prop-2-enylpyrimidin-4-one (CID 114582898) is 5,6-dichloro-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-prop-2-enylpyrimidin-4-one is C=CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-prop-2-enylpyrimidin-4-one?
The InChIKey is YCTQJYPNNUSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h2,4H,1,3H2.
What are the key properties of 5,6-dichloro-3-prop-2-enylpyrimidin-4-one?
5,6-dichloro-3-prop-2-enylpyrimidin-4-one has a molecular weight of 205.04 g/mol, XLogP of 1.74, 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-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 114582898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).