(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine

C14H18N2 — CID 126516413

IUPAC(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
SMILESC=c1nc(C)nc/c1=C/C=C(C)/C(C)=C/C
InChIInChI=1S/C14H18N2/c1-6-10(2)11(3)7-8-14-9-15-13(5)16-12(14)4/h6-9H,4H2,1-3,5H3/b10-6+,11-7+,14-8-
InChIKeyQYFHOOSJLXKHOR-SWQHIGECSA-N
MW214.31 g/mol
LogP1.89
Rot. Bonds2

About (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine

(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine (PubChem CID 126516413) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine.

Molecular Properties

Compound Name(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
PubChem CID126516413
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
SMILESC=c1nc(C)nc/c1=C/C=C(C)/C(C)=C/C
InChIInChI=1S/C14H18N2/c1-6-10(2)11(3)7-8-14-9-15-13(5)16-12(14)4/h6-9H,4H2,1-3,5H3/b10-6+,11-7+,14-8-
InChIKeyQYFHOOSJLXKHOR-SWQHIGECSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine?
The IUPAC name of (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine (CID 126516413) is (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine.
What is the SMILES notation for (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine?
The canonical SMILES for (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine is C=c1nc(C)nc/c1=C/C=C(C)/C(C)=C/C.
What is the InChIKey of (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine?
The InChIKey is QYFHOOSJLXKHOR-SWQHIGECSA-N. The full InChI is InChI=1S/C14H18N2/c1-6-10(2)11(3)7-8-14-9-15-13(5)16-12(14)4/h6-9H,4H2,1-3,5H3/b10-6+,11-7+,14-8-.
What are the key properties of (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine?
(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine has a molecular weight of 214.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine is sourced from PubChem (CID 126516413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).