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

C10H11Cl2FN2 — CID 80550143

IUPAC4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C2CCCCC2)nc1Cl
InChIInChI=1S/C10H11Cl2FN2/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyBBMNHPLXONMKLP-UHFFFAOYSA-N
MW249.12 g/mol
LogP3.97
Rot. Bonds1

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

4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine (PubChem CID 80550143) has the molecular formula C10H11Cl2FN2 and a molecular weight of 249.12 g/mol. Its IUPAC name is 4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine
PubChem CID80550143
Molecular FormulaC10H11Cl2FN2
Molecular Weight249.12 g/mol
Exact Mass248.03
IUPAC Name4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C2CCCCC2)nc1Cl
InChIInChI=1S/C10H11Cl2FN2/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyBBMNHPLXONMKLP-UHFFFAOYSA-N
XLogP3.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 53.97
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-cyclohexyl-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine (CID 80550143) is 4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine is Fc1c(Cl)nc(C2CCCCC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine?
The InChIKey is BBMNHPLXONMKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN2/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine?
4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine has a molecular weight of 249.12 g/mol, XLogP of 3.97, 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-cyclohexyl-5-fluoropyrimidine is sourced from PubChem (CID 80550143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).