4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine

C15H15Cl2FN2 — CID 170554343

IUPAC4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine
SMILESCCCCCc1c(Cl)nc(-c2ccc(F)cc2)nc1Cl
InChIInChI=1S/C15H15Cl2FN2/c1-2-3-4-5-12-13(16)19-15(20-14(12)17)10-6-8-11(18)9-7-10/h6-9H,2-5H2,1H3
InChIKeyZYAFTNVNZKQKKV-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.32
Rot. Bonds5

About 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine

4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine (PubChem CID 170554343) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine
PubChem CID170554343
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine
SMILESCCCCCc1c(Cl)nc(-c2ccc(F)cc2)nc1Cl
InChIInChI=1S/C15H15Cl2FN2/c1-2-3-4-5-12-13(16)19-15(20-14(12)17)10-6-8-11(18)9-7-10/h6-9H,2-5H2,1H3
InChIKeyZYAFTNVNZKQKKV-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine (CID 170554343) is 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine is CCCCCc1c(Cl)nc(-c2ccc(F)cc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine?
The InChIKey is ZYAFTNVNZKQKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-2-3-4-5-12-13(16)19-15(20-14(12)17)10-6-8-11(18)9-7-10/h6-9H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine?
4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine has a molecular weight of 313.20 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-fluorophenyl)-5-pentylpyrimidine is sourced from PubChem (CID 170554343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).