5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine

C9H9BrCl2N2 — CID 107925418

IUPAC5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine
SMILESCC1(C)CC1c1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C9H9BrCl2N2/c1-9(2)3-4(9)8-13-6(11)5(10)7(12)14-8/h4H,3H2,1-2H3
InChIKeyCBCIFFNOPJPVSP-UHFFFAOYSA-N
MW296.00 g/mol
LogP4.06
Rot. Bonds1

About 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine

5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine (PubChem CID 107925418) has the molecular formula C9H9BrCl2N2 and a molecular weight of 296.00 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine
PubChem CID107925418
Molecular FormulaC9H9BrCl2N2
Molecular Weight296.00 g/mol
Exact Mass293.93
IUPAC Name5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine
SMILESCC1(C)CC1c1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C9H9BrCl2N2/c1-9(2)3-4(9)8-13-6(11)5(10)7(12)14-8/h4H,3H2,1-2H3
InChIKeyCBCIFFNOPJPVSP-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.00
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine (CID 107925418) is 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine is CC1(C)CC1c1nc(Cl)c(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine?
The InChIKey is CBCIFFNOPJPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2N2/c1-9(2)3-4(9)8-13-6(11)5(10)7(12)14-8/h4H,3H2,1-2H3.
What are the key properties of 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine?
5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine has a molecular weight of 296.00 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine is sourced from PubChem (CID 107925418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).