4-(3-bromo-5-cyclopropylphenyl)pyrimidine

C13H11BrN2 — CID 172992744

IUPAC4-(3-bromo-5-cyclopropylphenyl)pyrimidine
SMILESBrc1cc(-c2ccncn2)cc(C2CC2)c1
InChIInChI=1S/C13H11BrN2/c14-12-6-10(9-1-2-9)5-11(7-12)13-3-4-15-8-16-13/h3-9H,1-2H2
InChIKeyBQYQNJXGTBOUNL-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.78
Rot. Bonds2

About 4-(3-bromo-5-cyclopropylphenyl)pyrimidine

4-(3-bromo-5-cyclopropylphenyl)pyrimidine (PubChem CID 172992744) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-(3-bromo-5-cyclopropylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-cyclopropylphenyl)pyrimidine
PubChem CID172992744
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name4-(3-bromo-5-cyclopropylphenyl)pyrimidine
SMILESBrc1cc(-c2ccncn2)cc(C2CC2)c1
InChIInChI=1S/C13H11BrN2/c14-12-6-10(9-1-2-9)5-11(7-12)13-3-4-15-8-16-13/h3-9H,1-2H2
InChIKeyBQYQNJXGTBOUNL-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-cyclopropylphenyl)pyrimidine?
The IUPAC name of 4-(3-bromo-5-cyclopropylphenyl)pyrimidine (CID 172992744) is 4-(3-bromo-5-cyclopropylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-bromo-5-cyclopropylphenyl)pyrimidine?
The canonical SMILES for 4-(3-bromo-5-cyclopropylphenyl)pyrimidine is Brc1cc(-c2ccncn2)cc(C2CC2)c1.
What is the InChIKey of 4-(3-bromo-5-cyclopropylphenyl)pyrimidine?
The InChIKey is BQYQNJXGTBOUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-12-6-10(9-1-2-9)5-11(7-12)13-3-4-15-8-16-13/h3-9H,1-2H2.
What are the key properties of 4-(3-bromo-5-cyclopropylphenyl)pyrimidine?
4-(3-bromo-5-cyclopropylphenyl)pyrimidine has a molecular weight of 275.15 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-cyclopropylphenyl)pyrimidine is sourced from PubChem (CID 172992744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).