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

C8H9Cl2FN2 — CID 79033233

IUPAC2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
SMILESCC(C)(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2/c1-8(2,3)7-12-5(9)4(11)6(10)13-7/h1-3H3
InChIKeyIAEGPLBIZBDPNW-UHFFFAOYSA-N
MW223.08 g/mol
LogP3.22
Rot. Bonds

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

2-tert-butyl-4,6-dichloro-5-fluoropyrimidine (PubChem CID 79033233) has the molecular formula C8H9Cl2FN2 and a molecular weight of 223.08 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
PubChem CID79033233
Molecular FormulaC8H9Cl2FN2
Molecular Weight223.08 g/mol
Exact Mass222.01
IUPAC Name2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
SMILESCC(C)(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2/c1-8(2,3)7-12-5(9)4(11)6(10)13-7/h1-3H3
InChIKeyIAEGPLBIZBDPNW-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine (CID 79033233) is 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine is CC(C)(C)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine?
The InChIKey is IAEGPLBIZBDPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2/c1-8(2,3)7-12-5(9)4(11)6(10)13-7/h1-3H3.
What are the key properties of 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine?
2-tert-butyl-4,6-dichloro-5-fluoropyrimidine has a molecular weight of 223.08 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 79033233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).