4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine

C8H5BrCl2N2 — CID 144797258

IUPAC4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine
SMILESC=Cc1c(Cl)nc(Cl)nc1C(=C)Br
InChIInChI=1S/C8H5BrCl2N2/c1-3-5-6(4(2)9)12-8(11)13-7(5)10/h3H,1-2H2
InChIKeyGUSLLOHAXBPTRZ-UHFFFAOYSA-N
MW279.95 g/mol
LogP3.79
Rot. Bonds2

About 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine

4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine (PubChem CID 144797258) has the molecular formula C8H5BrCl2N2 and a molecular weight of 279.95 g/mol. Its IUPAC name is 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine.

Molecular Properties

Compound Name4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine
PubChem CID144797258
Molecular FormulaC8H5BrCl2N2
Molecular Weight279.95 g/mol
Exact Mass277.90
IUPAC Name4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine
SMILESC=Cc1c(Cl)nc(Cl)nc1C(=C)Br
InChIInChI=1S/C8H5BrCl2N2/c1-3-5-6(4(2)9)12-8(11)13-7(5)10/h3H,1-2H2
InChIKeyGUSLLOHAXBPTRZ-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.95
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine 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

4-(1-bromoethenyl)-6-chloro-3-ethenyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
CID 178009991
4-(1-bromoethenyl)-5-ethenyl-1H-imidazole
CID 163252590
4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine
CID 145443882
2-(1-bromoethenyl)-3-ethenyl-6-(3-methylbutan-2-yl)pyridine
CID 144941249
[2-(1-bromoethenyl)-3-ethenyl-4-pyridinyl] trifluoromethanesulfonate
CID 164567361
5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole
CID 143414538
8-(1-bromoethenyl)-7-ethenylquinoline
CID 144820073
2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 155786317
2,4,6-tris(ethenyl)benzene-1,3,5-triol
CID 164702069
6-chloro-2-N,4-N-bis(ethenyl)-1,3,5-triazine-2,4-diamine
CID 119094423
5-bromo-2,6-dichloro-N-(2-methylprop-2-enyl)-N-phenylpyrimidin-4-amine
CID 155614749
1-(2,6-dichloro-5-nitropyrimidin-4-yl)ethanone
CID 118969676

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine?
The IUPAC name of 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine (CID 144797258) is 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine.
What is the SMILES notation for 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine?
The canonical SMILES for 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine is C=Cc1c(Cl)nc(Cl)nc1C(=C)Br.
What is the InChIKey of 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine?
The InChIKey is GUSLLOHAXBPTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2N2/c1-3-5-6(4(2)9)12-8(11)13-7(5)10/h3H,1-2H2.
What are the key properties of 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine?
4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine has a molecular weight of 279.95 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine is sourced from PubChem (CID 144797258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).