4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine

C13H10BrClN2 — CID 112554811

IUPAC4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
SMILESClc1ccccc1-c1cc(Br)nc(C2CC2)n1
InChIInChI=1S/C13H10BrClN2/c14-12-7-11(9-3-1-2-4-10(9)15)16-13(17-12)8-5-6-8/h1-4,7-8H,5-6H2
InChIKeyLXMFYTWHNNIVMB-UHFFFAOYSA-N
MW309.59 g/mol
LogP4.44
Rot. Bonds2

About 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine

4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine (PubChem CID 112554811) has the molecular formula C13H10BrClN2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
PubChem CID112554811
Molecular FormulaC13H10BrClN2
Molecular Weight309.59 g/mol
Exact Mass307.97
IUPAC Name4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
SMILESClc1ccccc1-c1cc(Br)nc(C2CC2)n1
InChIInChI=1S/C13H10BrClN2/c14-12-7-11(9-3-1-2-4-10(9)15)16-13(17-12)8-5-6-8/h1-4,7-8H,5-6H2
InChIKeyLXMFYTWHNNIVMB-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine?
The IUPAC name of 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine (CID 112554811) is 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine?
The canonical SMILES for 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine is Clc1ccccc1-c1cc(Br)nc(C2CC2)n1.
What is the InChIKey of 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine?
The InChIKey is LXMFYTWHNNIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2/c14-12-7-11(9-3-1-2-4-10(9)15)16-13(17-12)8-5-6-8/h1-4,7-8H,5-6H2.
What are the key properties of 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine?
4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine has a molecular weight of 309.59 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine is sourced from PubChem (CID 112554811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).