2-butyl-4,6-dichloro-5-fluoropyrimidine

C8H9Cl2FN2 — CID 80550184

IUPAC2-butyl-4,6-dichloro-5-fluoropyrimidine
SMILESCCCCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2/c1-2-3-4-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3
InChIKeyWATPESIHYATXSG-UHFFFAOYSA-N
MW223.08 g/mol
LogP3.27
Rot. Bonds3

About 2-butyl-4,6-dichloro-5-fluoropyrimidine

2-butyl-4,6-dichloro-5-fluoropyrimidine (PubChem CID 80550184) has the molecular formula C8H9Cl2FN2 and a molecular weight of 223.08 g/mol. Its IUPAC name is 2-butyl-4,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name2-butyl-4,6-dichloro-5-fluoropyrimidine
PubChem CID80550184
Molecular FormulaC8H9Cl2FN2
Molecular Weight223.08 g/mol
Exact Mass222.01
IUPAC Name2-butyl-4,6-dichloro-5-fluoropyrimidine
SMILESCCCCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2/c1-2-3-4-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3
InChIKeyWATPESIHYATXSG-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butyl-4,6-dichloro-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 2-butyl-4,6-dichloro-5-fluoropyrimidine (CID 80550184) is 2-butyl-4,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 2-butyl-4,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 2-butyl-4,6-dichloro-5-fluoropyrimidine is CCCCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 2-butyl-4,6-dichloro-5-fluoropyrimidine?
The InChIKey is WATPESIHYATXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2/c1-2-3-4-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3.
What are the key properties of 2-butyl-4,6-dichloro-5-fluoropyrimidine?
2-butyl-4,6-dichloro-5-fluoropyrimidine has a molecular weight of 223.08 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 80550184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).