5-bromo-4-phenyl-1,4-dihydropyrimidine

C10H9BrN2 — CID 141328883

IUPAC5-bromo-4-phenyl-1,4-dihydropyrimidine
SMILESBrC1=CNC=NC1c1ccccc1
InChIInChI=1S/C10H9BrN2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-7,10H,(H,12,13)
InChIKeySHZNJROEHKBNRE-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.60
Rot. Bonds1

About 5-bromo-4-phenyl-1,4-dihydropyrimidine

5-bromo-4-phenyl-1,4-dihydropyrimidine (PubChem CID 141328883) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 5-bromo-4-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-bromo-4-phenyl-1,4-dihydropyrimidine
PubChem CID141328883
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name5-bromo-4-phenyl-1,4-dihydropyrimidine
SMILESBrC1=CNC=NC1c1ccccc1
InChIInChI=1S/C10H9BrN2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-7,10H,(H,12,13)
InChIKeySHZNJROEHKBNRE-UHFFFAOYSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 5-bromo-4-phenyl-1,4-dihydropyrimidine (CID 141328883) is 5-bromo-4-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-bromo-4-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-bromo-4-phenyl-1,4-dihydropyrimidine is BrC1=CNC=NC1c1ccccc1.
What is the InChIKey of 5-bromo-4-phenyl-1,4-dihydropyrimidine?
The InChIKey is SHZNJROEHKBNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-7,10H,(H,12,13).
What are the key properties of 5-bromo-4-phenyl-1,4-dihydropyrimidine?
5-bromo-4-phenyl-1,4-dihydropyrimidine has a molecular weight of 237.10 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 141328883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).