4,6-dichloro-5-prop-2-enylpyrimidine

C7H6Cl2N2 — CID 519208

IUPAC4,6-dichloro-5-prop-2-enylpyrimidine
SMILESC=CCc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H6Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h2,4H,1,3H2
InChIKeyPDLIUMXRLQCZRG-UHFFFAOYSA-N
MW189.05 g/mol
LogP2.51
Rot. Bonds2

About 4,6-dichloro-5-prop-2-enylpyrimidine

4,6-dichloro-5-prop-2-enylpyrimidine (PubChem CID 519208) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.05 g/mol. Its IUPAC name is 4,6-dichloro-5-prop-2-enylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-prop-2-enylpyrimidine
PubChem CID519208
Molecular FormulaC7H6Cl2N2
Molecular Weight189.05 g/mol
Exact Mass187.99
IUPAC Name4,6-dichloro-5-prop-2-enylpyrimidine
SMILESC=CCc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H6Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h2,4H,1,3H2
InChIKeyPDLIUMXRLQCZRG-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-prop-2-enylpyrimidine?
The IUPAC name of 4,6-dichloro-5-prop-2-enylpyrimidine (CID 519208) is 4,6-dichloro-5-prop-2-enylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-prop-2-enylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-prop-2-enylpyrimidine is C=CCc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-prop-2-enylpyrimidine?
The InChIKey is PDLIUMXRLQCZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h2,4H,1,3H2.
What are the key properties of 4,6-dichloro-5-prop-2-enylpyrimidine?
4,6-dichloro-5-prop-2-enylpyrimidine has a molecular weight of 189.05 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-prop-2-enylpyrimidine is sourced from PubChem (CID 519208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).