5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine

C22H17BrN2 — CID 130392734

IUPAC5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine
SMILESBrC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C22H17BrN2/c23-19-20(16-10-4-1-5-11-16)24-22(18-14-8-3-9-15-18)25-21(19)17-12-6-2-7-13-17/h1-15,22,24H
InChIKeyZQKXHWVZIWQKLH-UHFFFAOYSA-N
MW389.30 g/mol
LogP5.54
Rot. Bonds3

About 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine

5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine (PubChem CID 130392734) has the molecular formula C22H17BrN2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine
PubChem CID130392734
Molecular FormulaC22H17BrN2
Molecular Weight389.30 g/mol
Exact Mass388.06
IUPAC Name5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine
SMILESBrC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C22H17BrN2/c23-19-20(16-10-4-1-5-11-16)24-22(18-14-8-3-9-15-18)25-21(19)17-12-6-2-7-13-17/h1-15,22,24H
InChIKeyZQKXHWVZIWQKLH-UHFFFAOYSA-N
XLogP5.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine?
The IUPAC name of 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine (CID 130392734) is 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine?
The canonical SMILES for 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine is BrC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine?
The InChIKey is ZQKXHWVZIWQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2/c23-19-20(16-10-4-1-5-11-16)24-22(18-14-8-3-9-15-18)25-21(19)17-12-6-2-7-13-17/h1-15,22,24H.
What are the key properties of 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine?
5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine has a molecular weight of 389.30 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4,6-triphenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 130392734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).