5,6-dichloro-3-hept-6-enylpyrimidin-4-one

C11H14Cl2N2O — CID 107010011

IUPAC5,6-dichloro-3-hept-6-enylpyrimidin-4-one
SMILESC=CCCCCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H14Cl2N2O/c1-2-3-4-5-6-7-15-8-14-10(13)9(12)11(15)16/h2,8H,1,3-7H2
InChIKeyYVXZVKRSIABPKZ-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.30
Rot. Bonds6

About 5,6-dichloro-3-hept-6-enylpyrimidin-4-one

5,6-dichloro-3-hept-6-enylpyrimidin-4-one (PubChem CID 107010011) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 5,6-dichloro-3-hept-6-enylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-hept-6-enylpyrimidin-4-one
PubChem CID107010011
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name5,6-dichloro-3-hept-6-enylpyrimidin-4-one
SMILESC=CCCCCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H14Cl2N2O/c1-2-3-4-5-6-7-15-8-14-10(13)9(12)11(15)16/h2,8H,1,3-7H2
InChIKeyYVXZVKRSIABPKZ-UHFFFAOYSA-N
XLogP3.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-3-hept-6-enylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-3-hept-6-enyl-2-methylpyrimidin-4-one
CID 107010008
6-Chloro-3-hept-6-enylpyrimidin-4-one
CID 107010009
5-Bromo-6-chloro-3-hept-6-enylpyrimidin-4-one
CID 107010012
6-Chloro-3-hept-6-enyl-5-iodopyrimidin-4-one
CID 107010013
3-But-3-enyl-6-chloropyrimidin-4-one
CID 114582142
6-Chloro-3-pent-4-enylpyrimidin-4-one
CID 114582188
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
3-But-3-en-2-yl-5,6-dichloropyrimidin-4-one
CID 114582923
3-But-3-enyl-5,6-dichloropyrimidin-4-one
CID 114583009
5,6-Dichloro-3-pent-4-enylpyrimidin-4-one
CID 114583057
5,6-Dichloro-3-(3-methylbut-3-enyl)pyrimidin-4-one
CID 114583121
5,6-Dichloro-3-hexylpyrimidin-4-one
CID 114583128

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-hept-6-enylpyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-hept-6-enylpyrimidin-4-one (CID 107010011) is 5,6-dichloro-3-hept-6-enylpyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-hept-6-enylpyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-hept-6-enylpyrimidin-4-one is C=CCCCCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-hept-6-enylpyrimidin-4-one?
The InChIKey is YVXZVKRSIABPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-2-3-4-5-6-7-15-8-14-10(13)9(12)11(15)16/h2,8H,1,3-7H2.
What are the key properties of 5,6-dichloro-3-hept-6-enylpyrimidin-4-one?
5,6-dichloro-3-hept-6-enylpyrimidin-4-one has a molecular weight of 261.15 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-hept-6-enylpyrimidin-4-one is sourced from PubChem (CID 107010011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).