4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine

C16H17FN2 — CID 21256777

IUPAC4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine
SMILESC=CCCCc1cc(-c2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C16H17FN2/c1-3-4-5-6-15-11-16(19-12(2)18-15)13-7-9-14(17)10-8-13/h3,7-11H,1,4-6H2,2H3
InChIKeyOXACGAZCPDGFFW-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.10
Rot. Bonds5

About 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine

4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine (PubChem CID 21256777) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine
PubChem CID21256777
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine
SMILESC=CCCCc1cc(-c2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C16H17FN2/c1-3-4-5-6-15-11-16(19-12(2)18-15)13-7-9-14(17)10-8-13/h3,7-11H,1,4-6H2,2H3
InChIKeyOXACGAZCPDGFFW-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine (CID 21256777) is 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine is C=CCCCc1cc(-c2ccc(F)cc2)nc(C)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine?
The InChIKey is OXACGAZCPDGFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-3-4-5-6-15-11-16(19-12(2)18-15)13-7-9-14(17)10-8-13/h3,7-11H,1,4-6H2,2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine?
4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine has a molecular weight of 256.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine is sourced from PubChem (CID 21256777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).