4-bromo-2-chloro-6-cyclopropylpyrimidine

C7H6BrClN2 — CID 130056238

IUPAC4-bromo-2-chloro-6-cyclopropylpyrimidine
SMILESClc1nc(Br)cc(C2CC2)n1
InChIInChI=1S/C7H6BrClN2/c8-6-3-5(4-1-2-4)10-7(9)11-6/h3-4H,1-2H2
InChIKeyABQYAHAGHPVDCM-UHFFFAOYSA-N
MW233.50 g/mol
LogP2.77
Rot. Bonds1

About 4-bromo-2-chloro-6-cyclopropylpyrimidine

4-bromo-2-chloro-6-cyclopropylpyrimidine (PubChem CID 130056238) has the molecular formula C7H6BrClN2 and a molecular weight of 233.50 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-chloro-6-cyclopropylpyrimidine
PubChem CID130056238
Molecular FormulaC7H6BrClN2
Molecular Weight233.50 g/mol
Exact Mass231.94
IUPAC Name4-bromo-2-chloro-6-cyclopropylpyrimidine
SMILESClc1nc(Br)cc(C2CC2)n1
InChIInChI=1S/C7H6BrClN2/c8-6-3-5(4-1-2-4)10-7(9)11-6/h3-4H,1-2H2
InChIKeyABQYAHAGHPVDCM-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-cyclopropylpyrimidine?
The IUPAC name of 4-bromo-2-chloro-6-cyclopropylpyrimidine (CID 130056238) is 4-bromo-2-chloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 4-bromo-2-chloro-6-cyclopropylpyrimidine?
The canonical SMILES for 4-bromo-2-chloro-6-cyclopropylpyrimidine is Clc1nc(Br)cc(C2CC2)n1.
What is the InChIKey of 4-bromo-2-chloro-6-cyclopropylpyrimidine?
The InChIKey is ABQYAHAGHPVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2/c8-6-3-5(4-1-2-4)10-7(9)11-6/h3-4H,1-2H2.
What are the key properties of 4-bromo-2-chloro-6-cyclopropylpyrimidine?
4-bromo-2-chloro-6-cyclopropylpyrimidine has a molecular weight of 233.50 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 130056238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).