4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine

C7H7Cl2FN2 — CID 79033231

IUPAC4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2/c1-3(2)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3
InChIKeyCEXQVJMMOGOAQZ-UHFFFAOYSA-N
MW209.05 g/mol
LogP3.05
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine

4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine (PubChem CID 79033231) has the molecular formula C7H7Cl2FN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
PubChem CID79033231
Molecular FormulaC7H7Cl2FN2
Molecular Weight209.05 g/mol
Exact Mass208.00
IUPAC Name4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2/c1-3(2)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3
InChIKeyCEXQVJMMOGOAQZ-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine (CID 79033231) is 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine?
The InChIKey is CEXQVJMMOGOAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2/c1-3(2)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine?
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine has a molecular weight of 209.05 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine is sourced from PubChem (CID 79033231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).