6-bromo-2,4-diphenyl-1,4-dihydropyrimidine

C16H13BrN2 — CID 123546607

IUPAC6-bromo-2,4-diphenyl-1,4-dihydropyrimidine
SMILESBrC1=CC(c2ccccc2)N=C(c2ccccc2)N1
InChIInChI=1S/C16H13BrN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11,14H,(H,18,19)
InChIKeyOPPJNKWBYXWCFV-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.01
Rot. Bonds2

About 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine

6-bromo-2,4-diphenyl-1,4-dihydropyrimidine (PubChem CID 123546607) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-bromo-2,4-diphenyl-1,4-dihydropyrimidine
PubChem CID123546607
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name6-bromo-2,4-diphenyl-1,4-dihydropyrimidine
SMILESBrC1=CC(c2ccccc2)N=C(c2ccccc2)N1
InChIInChI=1S/C16H13BrN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11,14H,(H,18,19)
InChIKeyOPPJNKWBYXWCFV-UHFFFAOYSA-N
XLogP4.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
CID 134559695
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine
CID 163727041
2-(2-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 126727956
6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425
6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247245
2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
CID 163983401
9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
CID 168812688
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine?
The IUPAC name of 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine (CID 123546607) is 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine is BrC1=CC(c2ccccc2)N=C(c2ccccc2)N1.
What is the InChIKey of 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine?
The InChIKey is OPPJNKWBYXWCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11,14H,(H,18,19).
What are the key properties of 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine?
6-bromo-2,4-diphenyl-1,4-dihydropyrimidine has a molecular weight of 313.20 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-diphenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 123546607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).