4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine

C9H9Cl2FN2 — CID 107925452

IUPAC4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine
SMILESCC1(C)CC1c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C9H9Cl2FN2/c1-9(2)3-4(9)8-13-6(10)5(12)7(11)14-8/h4H,3H2,1-2H3
InChIKeyNKHCVUTVVXDONT-UHFFFAOYSA-N
MW235.09 g/mol
LogP3.44
Rot. Bonds1

About 4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine

4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine (PubChem CID 107925452) has the molecular formula C9H9Cl2FN2 and a molecular weight of 235.09 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine
PubChem CID107925452
Molecular FormulaC9H9Cl2FN2
Molecular Weight235.09 g/mol
Exact Mass234.01
IUPAC Name4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine
SMILESCC1(C)CC1c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C9H9Cl2FN2/c1-9(2)3-4(9)8-13-6(10)5(12)7(11)14-8/h4H,3H2,1-2H3
InChIKeyNKHCVUTVVXDONT-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 53.44
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-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine (CID 107925452) is 4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine is CC1(C)CC1c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine?
The InChIKey is NKHCVUTVVXDONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN2/c1-9(2)3-4(9)8-13-6(10)5(12)7(11)14-8/h4H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine?
4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine has a molecular weight of 235.09 g/mol, XLogP of 3.44, 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-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine is sourced from PubChem (CID 107925452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).