2,5-dichloro-4-ethenylpyrimidine

C6H4Cl2N2 — CID 118417789

IUPAC2,5-dichloro-4-ethenylpyrimidine
SMILESC=Cc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H4Cl2N2/c1-2-5-4(7)3-9-6(8)10-5/h2-3H,1H2
InChIKeyZOLRRYAITMAXEH-UHFFFAOYSA-N
MW175.02 g/mol
LogP2.43
Rot. Bonds1

About 2,5-dichloro-4-ethenylpyrimidine

2,5-dichloro-4-ethenylpyrimidine (PubChem CID 118417789) has the molecular formula C6H4Cl2N2 and a molecular weight of 175.02 g/mol. Its IUPAC name is 2,5-dichloro-4-ethenylpyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-ethenylpyrimidine
PubChem CID118417789
Molecular FormulaC6H4Cl2N2
Molecular Weight175.02 g/mol
Exact Mass173.98
IUPAC Name2,5-dichloro-4-ethenylpyrimidine
SMILESC=Cc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H4Cl2N2/c1-2-5-4(7)3-9-6(8)10-5/h2-3H,1H2
InChIKeyZOLRRYAITMAXEH-UHFFFAOYSA-N
XLogP2.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.02
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichloropyrimidin-4-yl)oxidanium
CID 144945544
4-[(E)-2-butoxyethenyl]-2,5-dichloropyrimidine
CID 46934604
2-chloro-5-fluoropyrimidine-4-carbaldehyde
CID 171934886
5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
CID 129259679
2,3-bis(ethenyl)-5-methylpyrazine;ethane
CID 142881444
5-chloro-6-ethenylpyridine-3-carbonitrile
CID 119086945
2,5-dichloro-N-methoxypyrimidin-4-amine
CID 135137744
7-bromo-2,6-dichloroquinazoline
CID 131750244
tert-butyl-(2,5-dichloropyrimidin-4-yl)tin
CID 169089965
4-(2,5-dichloropyrimidin-4-yl)benzaldehyde
CID 174182187
2,5-dichloro-4-(2,4-difluorophenyl)pyrimidine
CID 171627408
2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane
CID 153387391

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-ethenylpyrimidine?
The IUPAC name of 2,5-dichloro-4-ethenylpyrimidine (CID 118417789) is 2,5-dichloro-4-ethenylpyrimidine.
What is the SMILES notation for 2,5-dichloro-4-ethenylpyrimidine?
The canonical SMILES for 2,5-dichloro-4-ethenylpyrimidine is C=Cc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-ethenylpyrimidine?
The InChIKey is ZOLRRYAITMAXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2/c1-2-5-4(7)3-9-6(8)10-5/h2-3H,1H2.
What are the key properties of 2,5-dichloro-4-ethenylpyrimidine?
2,5-dichloro-4-ethenylpyrimidine has a molecular weight of 175.02 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-ethenylpyrimidine is sourced from PubChem (CID 118417789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).