4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine

C16H14Cl2N2 — CID 88801779

IUPAC4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine
SMILESC=CCc1ccc(-c2nc(Cl)c(CC=C)c(Cl)n2)cc1
InChIInChI=1S/C16H14Cl2N2/c1-3-5-11-7-9-12(10-8-11)16-19-14(17)13(6-4-2)15(18)20-16/h3-4,7-10H,1-2,5-6H2
InChIKeyVHHANOWDGVXQDL-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.91
Rot. Bonds5

About 4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine

4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine (PubChem CID 88801779) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine
PubChem CID88801779
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine
SMILESC=CCc1ccc(-c2nc(Cl)c(CC=C)c(Cl)n2)cc1
InChIInChI=1S/C16H14Cl2N2/c1-3-5-11-7-9-12(10-8-11)16-19-14(17)13(6-4-2)15(18)20-16/h3-4,7-10H,1-2,5-6H2
InChIKeyVHHANOWDGVXQDL-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.91
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-enyl-2-(4-prop-2-enylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine (CID 88801779) is 4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine is C=CCc1ccc(-c2nc(Cl)c(CC=C)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine?
The InChIKey is VHHANOWDGVXQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-3-5-11-7-9-12(10-8-11)16-19-14(17)13(6-4-2)15(18)20-16/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine?
4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine has a molecular weight of 305.21 g/mol, XLogP of 4.91, 5 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-enyl-2-(4-prop-2-enylphenyl)pyrimidine is sourced from PubChem (CID 88801779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).