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

C8H7Cl2FN2 — CID 80550205

IUPAC4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C2CCC2)nc1Cl
InChIInChI=1S/C8H7Cl2FN2/c9-6-5(11)7(10)13-8(12-6)4-2-1-3-4/h4H,1-3H2
InChIKeyKMOIILPWEFQBAY-UHFFFAOYSA-N
MW221.06 g/mol
LogP3.19
Rot. Bonds1

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

4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine (PubChem CID 80550205) has the molecular formula C8H7Cl2FN2 and a molecular weight of 221.06 g/mol. Its IUPAC name is 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine
PubChem CID80550205
Molecular FormulaC8H7Cl2FN2
Molecular Weight221.06 g/mol
Exact Mass220.00
IUPAC Name4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C2CCC2)nc1Cl
InChIInChI=1S/C8H7Cl2FN2/c9-6-5(11)7(10)13-8(12-6)4-2-1-3-4/h4H,1-3H2
InChIKeyKMOIILPWEFQBAY-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine (CID 80550205) is 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine is Fc1c(Cl)nc(C2CCC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine?
The InChIKey is KMOIILPWEFQBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FN2/c9-6-5(11)7(10)13-8(12-6)4-2-1-3-4/h4H,1-3H2.
What are the key properties of 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine?
4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine has a molecular weight of 221.06 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-cyclobutyl-5-fluoropyrimidine is sourced from PubChem (CID 80550205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).