5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine

C10H12BrClN2 — CID 66293970

IUPAC5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
SMILESCCCc1nc(C2CC2)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2/c1-2-3-7-8(11)9(12)14-10(13-7)6-4-5-6/h6H,2-5H2,1H3
InChIKeyOYMZGVWYNFEBEB-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.72
Rot. Bonds3

About 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine

5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine (PubChem CID 66293970) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
PubChem CID66293970
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
SMILESCCCc1nc(C2CC2)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2/c1-2-3-7-8(11)9(12)14-10(13-7)6-4-5-6/h6H,2-5H2,1H3
InChIKeyOYMZGVWYNFEBEB-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine (CID 66293970) is 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine is CCCc1nc(C2CC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine?
The InChIKey is OYMZGVWYNFEBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c1-2-3-7-8(11)9(12)14-10(13-7)6-4-5-6/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine?
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine has a molecular weight of 275.58 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine is sourced from PubChem (CID 66293970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).